6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide

C21H18N4O3 — CID 109164359

IUPAC6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccccc3C#N)nc2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-16-8-9-18(19(11-16)28-2)25-21(26)15-7-10-20(23-13-15)24-17-6-4-3-5-14(17)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyFCVXJXKBDOFWOP-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

About 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide

6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109164359) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109164359
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccccc3C#N)nc2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-16-8-9-18(19(11-16)28-2)25-21(26)15-7-10-20(23-13-15)24-17-6-4-3-5-14(17)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyFCVXJXKBDOFWOP-UHFFFAOYSA-N
XLogP3.97
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109162768
6-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109163030
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 1045731
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide (CID 109164359) is 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccccc3C#N)nc2)c(OC)c1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is FCVXJXKBDOFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-16-8-9-18(19(11-16)28-2)25-21(26)15-7-10-20(23-13-15)24-17-6-4-3-5-14(17)12-22/h3-11,13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).