6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide

C15H14N4O — CID 71072352

IUPAC6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide
SMILESCC(C#N)c1ccc(Nc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C15H14N4O/c1-10(8-16)11-2-5-13(6-3-11)19-14-7-4-12(9-18-14)15(17)20/h2-7,9-10H,1H3,(H2,17,20)(H,18,19)
InChIKeyWYKCOMVQPUALAU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds4

About 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide

6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide (PubChem CID 71072352) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide
PubChem CID71072352
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide
SMILESCC(C#N)c1ccc(Nc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C15H14N4O/c1-10(8-16)11-2-5-13(6-3-11)19-14-7-4-12(9-18-14)15(17)20/h2-7,9-10H,1H3,(H2,17,20)(H,18,19)
InChIKeyWYKCOMVQPUALAU-UHFFFAOYSA-N
XLogP2.55
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
CID 10291190
N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide
CID 24705827
methyl (2R)-2-[4-[(5-bromo-2-pyridinyl)amino]phenyl]propanoate
CID 125466772
2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 115296105
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
1-[4-[(5-nitro-2-pyridinyl)amino]phenyl]ethyl carbamate
CID 175390185
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
methyl 2-[[6-(4-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163056
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide (CID 71072352) is 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide is CC(C#N)c1ccc(Nc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide?
The InChIKey is WYKCOMVQPUALAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(8-16)11-2-5-13(6-3-11)19-14-7-4-12(9-18-14)15(17)20/h2-7,9-10H,1H3,(H2,17,20)(H,18,19).
What are the key properties of 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide?
6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 71072352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).