N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide

C21H18N4O3 — CID 109221984

IUPACN-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccnc(C(=O)Nc3ccccc3C#N)c2)c1
InChIInChI=1S/C21H18N4O3/c1-27-16-7-8-20(28-2)18(12-16)24-15-9-10-23-19(11-15)21(26)25-17-6-4-3-5-14(17)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyLHLUMNJKTQGSAQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.97
Rot. Bonds6

About N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide

N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109221984) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
PubChem CID109221984
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccnc(C(=O)Nc3ccccc3C#N)c2)c1
InChIInChI=1S/C21H18N4O3/c1-27-16-7-8-20(28-2)18(12-16)24-15-9-10-23-19(11-15)21(26)25-17-6-4-3-5-14(17)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyLHLUMNJKTQGSAQ-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

4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2,5-dimethoxyphenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220169
4-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221555
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222691
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide (CID 109221984) is N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide is COc1ccc(OC)c(Nc2ccnc(C(=O)Nc3ccccc3C#N)c2)c1.
What is the InChIKey of N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is LHLUMNJKTQGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-16-7-8-20(28-2)18(12-16)24-15-9-10-23-19(11-15)21(26)25-17-6-4-3-5-14(17)13-22/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide?
N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)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 N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109221984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).