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

C21H21N3O3 — CID 109197597

IUPAC5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O3/c1-24(16-7-5-4-6-8-16)21(25)18-11-9-15(14-22-18)23-19-13-17(26-2)10-12-20(19)27-3/h4-14,23H,1-3H3
InChIKeyHCGIRIIGMYIBQK-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.12
Rot. Bonds6

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

5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109197597) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109197597
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C21H21N3O3/c1-24(16-7-5-4-6-8-16)21(25)18-11-9-15(14-22-18)23-19-13-17(26-2)10-12-20(19)27-3/h4-14,23H,1-3H3
InChIKeyHCGIRIIGMYIBQK-UHFFFAOYSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109199091
5-(2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109199964
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091438
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109197573
N-(4-acetylphenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109200201
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide (CID 109197597) is 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide is COc1ccc(OC)c(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)c1.
What is the InChIKey of 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is HCGIRIIGMYIBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(16-7-5-4-6-8-16)21(25)18-11-9-15(14-22-18)23-19-13-17(26-2)10-12-20(19)27-3/h4-14,23H,1-3H3.
What are the key properties of 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109197597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).