2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide

C21H20ClN3O3 — CID 109176377

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)N(C)c3ccccc3)ccn2)c(OC)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-25(15-7-5-4-6-8-15)21(26)14-9-10-23-20(11-14)24-17-13-18(27-2)16(22)12-19(17)28-3/h4-13H,1-3H3,(H,23,24)
InChIKeyKHLYBVYQGXYEOD-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide

2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide (PubChem CID 109176377) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
PubChem CID109176377
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)N(C)c3ccccc3)ccn2)c(OC)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-25(15-7-5-4-6-8-15)21(26)14-9-10-23-20(11-14)24-17-13-18(27-2)16(22)12-19(17)28-3/h4-13H,1-3H3,(H,23,24)
InChIKeyKHLYBVYQGXYEOD-UHFFFAOYSA-N
XLogP4.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176346
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166204
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
2-N-(2-methoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091430
2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176370
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109165879
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091438
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide
CID 31054798
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide (CID 109176377) is 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide is COc1cc(Nc2cc(C(=O)N(C)c3ccccc3)ccn2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
The InChIKey is KHLYBVYQGXYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-25(15-7-5-4-6-8-15)21(26)14-9-10-23-20(11-14)24-17-13-18(27-2)16(22)12-19(17)28-3/h4-13H,1-3H3,(H,23,24).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 109176377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).