N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide

C21H21N3O2 — CID 109198223

IUPACN-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3c(C)cccc3C)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-15(2)20(14)24-21(25)19-12-9-17(13-22-19)23-16-7-10-18(26-3)11-8-16/h4-13,23H,1-3H3,(H,24,25)
InChIKeyVCROWTJEHSCFIP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide

N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109198223) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109198223
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3c(C)cccc3C)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-15(2)20(14)24-21(25)19-12-9-17(13-22-19)23-16-7-10-18(26-3)11-8-16/h4-13,23H,1-3H3,(H,24,25)
InChIKeyVCROWTJEHSCFIP-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198585
N-(2,6-dimethylphenyl)-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109198225
5-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109198604
5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198726
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-(2,5-dimethoxyphenyl)-5-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109198260
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(2,6-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198250
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198703
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide (CID 109198223) is N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3c(C)cccc3C)nc2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is VCROWTJEHSCFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-5-4-6-15(2)20(14)24-21(25)19-12-9-17(13-22-19)23-16-7-10-18(26-3)11-8-16/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).