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

C21H18N4O3 — CID 109200223

IUPAC5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-17-8-10-18(20(11-17)28-2)25-21(26)19-9-7-16(13-23-19)24-15-5-3-14(12-22)4-6-15/h3-11,13,24H,1-2H3,(H,25,26)
InChIKeyKQEBYWWDNTWRMR-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

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

5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109200223) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109200223
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-17-8-10-18(20(11-17)28-2)25-21(26)19-9-7-16(13-23-19)24-15-5-3-14(12-22)4-6-15/h3-11,13,24H,1-2H3,(H,25,26)
InChIKeyKQEBYWWDNTWRMR-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

5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293927
N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
CID 109198459
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193758
N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide (CID 109200223) is 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)c(OC)c1.
What is the InChIKey of 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is KQEBYWWDNTWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-17-8-10-18(20(11-17)28-2)25-21(26)19-9-7-16(13-23-19)24-15-5-3-14(12-22)4-6-15/h3-11,13,24H,1-2H3,(H,25,26).
What are the key properties of 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide?
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-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 5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).