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

C21H21N3O3 — CID 109176317

IUPACN-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C)cc3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-14-4-6-16(7-5-14)23-20-12-15(10-11-22-20)21(25)24-18-13-17(26-2)8-9-19(18)27-3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyDOQYWMWQTFMHCM-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.40
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide (PubChem CID 109176317) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
PubChem CID109176317
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C)cc3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-14-4-6-16(7-5-14)23-20-12-15(10-11-22-20)21(25)24-18-13-17(26-2)8-9-19(18)27-3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyDOQYWMWQTFMHCM-UHFFFAOYSA-N
XLogP4.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109177330
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178333
2-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethylanilino)pyridine-4-carboxamide
CID 109176642
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
2-(2,4-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide
CID 109176664
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide (CID 109176317) is N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C)cc3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide?
The InChIKey is DOQYWMWQTFMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-4-6-16(7-5-14)23-20-12-15(10-11-22-20)21(25)24-18-13-17(26-2)8-9-19(18)27-3/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).