5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide

C21H20ClN3O3 — CID 109199397

IUPAC5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)cn2)c1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-5-14(22)10-18(13)24-15-6-8-17(23-12-15)21(26)25-19-11-16(27-2)7-9-20(19)28-3/h4-12,24H,1-3H3,(H,25,26)
InChIKeyTVLXLHAKNJVOKI-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.06
Rot. Bonds6

About 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide

5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109199397) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109199397
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)cn2)c1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-5-14(22)10-18(13)24-15-6-8-17(23-12-15)21(26)25-19-11-16(27-2)7-9-20(19)28-3/h4-12,24H,1-3H3,(H,25,26)
InChIKeyTVLXLHAKNJVOKI-UHFFFAOYSA-N
XLogP5.06
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105
N-(2,5-dimethoxyphenyl)-5-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109198260
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109199091
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-(2,5-dimethoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179771
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
N-(4-acetylphenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109200201
5-(2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109199964
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
N-(2,5-dimethoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181332

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 109199397) is 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)cn2)c1.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is TVLXLHAKNJVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-4-5-14(22)10-18(13)24-15-6-8-17(23-12-15)21(26)25-19-11-16(27-2)7-9-20(19)28-3/h4-12,24H,1-3H3,(H,25,26).
What are the key properties of 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide?
5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).