6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide

C20H16N4O2 — CID 10291190

IUPAC6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(N)=O)cn2)cc1OCc1ccccc1
InChIInChI=1S/C20H16N4O2/c21-11-15-6-8-17(24-19-9-7-16(12-23-19)20(22)25)10-18(15)26-13-14-4-2-1-3-5-14/h1-10,12H,13H2,(H2,22,25)(H,23,24)
InChIKeyINEPDRPYAWZMQA-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.37
Rot. Bonds6

About 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide

6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide (PubChem CID 10291190) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
PubChem CID10291190
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(N)=O)cn2)cc1OCc1ccccc1
InChIInChI=1S/C20H16N4O2/c21-11-15-6-8-17(24-19-9-7-16(12-23-19)20(22)25)10-18(15)26-13-14-4-2-1-3-5-14/h1-10,12H,13H2,(H2,22,25)(H,23,24)
InChIKeyINEPDRPYAWZMQA-UHFFFAOYSA-N
XLogP3.37
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
CID 168523947
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
6-[4-(1-cyanoethyl)anilino]pyridine-3-carboxamide
CID 71072352
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 115296105
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
4-(2-cyanoacetyl)-5-fluoro-2-phenylmethoxybenzonitrile
CID 142080887
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
methyl 4-[2-(3-cyano-4-phenylmethoxyanilino)ethylamino]benzoate
CID 153234423
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide (CID 10291190) is 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide is N#Cc1ccc(Nc2ccc(C(N)=O)cn2)cc1OCc1ccccc1.
What is the InChIKey of 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide?
The InChIKey is INEPDRPYAWZMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-11-15-6-8-17(24-19-9-7-16(12-23-19)20(22)25)10-18(15)26-13-14-4-2-1-3-5-14/h1-10,12H,13H2,(H2,22,25)(H,23,24).
What are the key properties of 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide?
6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 10291190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).