1-(3-cyanoanilino)-2H-pyridine-3-carboxamide

C13H12N4O — CID 19781751

IUPAC1-(3-cyanoanilino)-2H-pyridine-3-carboxamide
SMILESN#Cc1cccc(NN2C=CC=C(C(N)=O)C2)c1
InChIInChI=1S/C13H12N4O/c14-8-10-3-1-5-12(7-10)16-17-6-2-4-11(9-17)13(15)18/h1-7,16H,9H2,(H2,15,18)
InChIKeyIIBRIHBGMXSWGI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.13
Rot. Bonds3

About 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide

1-(3-cyanoanilino)-2H-pyridine-3-carboxamide (PubChem CID 19781751) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyanoanilino)-2H-pyridine-3-carboxamide
PubChem CID19781751
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(3-cyanoanilino)-2H-pyridine-3-carboxamide
SMILESN#Cc1cccc(NN2C=CC=C(C(N)=O)C2)c1
InChIInChI=1S/C13H12N4O/c14-8-10-3-1-5-12(7-10)16-17-6-2-4-11(9-17)13(15)18/h1-7,16H,9H2,(H2,15,18)
InChIKeyIIBRIHBGMXSWGI-UHFFFAOYSA-N
XLogP1.13
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-hydrazinylbenzonitrile chloride
CID 18677448
3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide
CID 154843025
N'-(3-cyanophenyl)acetohydrazide
CID 131038876
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
3-(sulfanylamino)benzonitrile
CID 142255367

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide (CID 19781751) is 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide is N#Cc1cccc(NN2C=CC=C(C(N)=O)C2)c1.
What is the InChIKey of 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide?
The InChIKey is IIBRIHBGMXSWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-8-10-3-1-5-12(7-10)16-17-6-2-4-11(9-17)13(15)18/h1-7,16H,9H2,(H2,15,18).
What are the key properties of 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide?
1-(3-cyanoanilino)-2H-pyridine-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanoanilino)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 19781751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).