N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide

C21H21N3O2 — CID 109198157

IUPACN-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-10-15(2)12-18(11-14)24-21(25)20-9-6-17(13-22-20)23-16-4-7-19(26-3)8-5-16/h4-13,23H,1-3H3,(H,24,25)
InChIKeyHYSHQVJIAYQROK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109198157) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109198157
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-10-15(2)12-18(11-14)24-21(25)20-9-6-17(13-22-20)23-16-4-7-19(26-3)8-5-16/h4-13,23H,1-3H3,(H,24,25)
InChIKeyHYSHQVJIAYQROK-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

methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198703
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184098
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198726
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide (CID 109198157) is N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is HYSHQVJIAYQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-10-15(2)12-18(11-14)24-21(25)20-9-6-17(13-22-20)23-16-4-7-19(26-3)8-5-16/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
N-(3,5-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-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).