5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide

C16H14N4O — CID 109223742

IUPAC5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H14N4O/c17-8-11-3-1-2-4-15(11)19-14-7-12(9-18-10-14)16(21)20-13-5-6-13/h1-4,7,9-10,13,19H,5-6H2,(H,20,21)
InChIKeyAILIQJLMUXSXRR-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.59
Rot. Bonds4

About 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide

5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide (PubChem CID 109223742) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
PubChem CID109223742
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H14N4O/c17-8-11-3-1-2-4-15(11)19-14-7-12(9-18-10-14)16(21)20-13-5-6-13/h1-4,7,9-10,13,19H,5-6H2,(H,20,21)
InChIKeyAILIQJLMUXSXRR-UHFFFAOYSA-N
XLogP2.59
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109225681
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
ethyl 2-[[5-(cyclopropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109223741
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide (CID 109223742) is 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide is N#Cc1ccccc1Nc1cncc(C(=O)NC2CC2)c1.
What is the InChIKey of 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is AILIQJLMUXSXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-8-11-3-1-2-4-15(11)19-14-7-12(9-18-10-14)16(21)20-13-5-6-13/h1-4,7,9-10,13,19H,5-6H2,(H,20,21).
What are the key properties of 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide?
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 109223742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).