General Information of the Compound
Compound ID
CP0068281
Compound Name
N-(2-aminophenyl)pyrazine-2-carboxamide
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Structure
Formula
C11H10N4O
Molecular Weight
214.228
Canonical SMILES
Nc1ccccc1NC(=O)c1cnccn1
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InChI
InChI=1S/C11H10N4O/c12-8-3-1-2-4-9(8)15-11(16)10-7-13-5-6-14-10/h1-7H,12H2,(H,15,16)
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InChIKey
LMWPVSNHKACEKW-UHFFFAOYSA-N
Physicochemical Property
logP
1.3111
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
80.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16773791
ChEMBL ID
CHEMBL4283263