6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C21H18N4O2 — CID 109157383

IUPAC6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3cccc(C#N)c3)nc2)cc1
InChIInChI=1S/C21H18N4O2/c1-27-19-8-5-15(6-9-19)13-24-21(26)17-7-10-20(23-14-17)25-18-4-2-3-16(11-18)12-22/h2-11,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFADMVKHERMNBMJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.64
Rot. Bonds6

About 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109157383) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109157383
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3cccc(C#N)c3)nc2)cc1
InChIInChI=1S/C21H18N4O2/c1-27-19-8-5-15(6-9-19)13-24-21(26)17-7-10-20(23-14-17)25-18-4-2-3-16(11-18)12-22/h2-11,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFADMVKHERMNBMJ-UHFFFAOYSA-N
XLogP3.64
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258170
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10385607
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 56675716
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
3-[[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112918663
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109157383) is 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3cccc(C#N)c3)nc2)cc1.
What is the InChIKey of 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FADMVKHERMNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-19-8-5-15(6-9-19)13-24-21(26)17-7-10-20(23-14-17)25-18-4-2-3-16(11-18)12-22/h2-11,14H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).