2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide

C21H18N4O3 — CID 109178333

IUPAC2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C#N)cc3)c2)c1
InChIInChI=1S/C21H18N4O3/c1-27-17-7-8-19(28-2)18(12-17)25-21(26)15-9-10-23-20(11-15)24-16-5-3-14(13-22)4-6-16/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyMCEAAJXQLZACRK-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide

2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109178333) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109178333
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C#N)cc3)c2)c1
InChIInChI=1S/C21H18N4O3/c1-27-17-7-8-19(28-2)18(12-17)25-21(26)15-9-10-23-20(11-15)24-16-5-3-14(13-22)4-6-16/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyMCEAAJXQLZACRK-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-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
CID 109176317
N-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109177330
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
2-(4-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177130
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293927
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide (CID 109178333) is 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C#N)cc3)c2)c1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is MCEAAJXQLZACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-17-7-8-19(28-2)18(12-17)25-21(26)15-9-10-23-20(11-15)24-16-5-3-14(13-22)4-6-16/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-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 2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).