N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide

C20H19N3O2 — CID 109242133

IUPACN-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-3-5-16(6-4-14)22-18-11-15(12-21-13-18)20(24)23-17-7-9-19(25-2)10-8-17/h3-13,22H,1-2H3,(H,23,24)
InChIKeyGLILKIHHBKJVJF-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.39
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide

N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109242133) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109242133
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-3-5-16(6-4-14)22-18-11-15(12-21-13-18)20(24)23-17-7-9-19(25-2)10-8-17/h3-13,22H,1-2H3,(H,23,24)
InChIKeyGLILKIHHBKJVJF-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242174
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide (CID 109242133) is N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(Nc3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is GLILKIHHBKJVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-3-5-16(6-4-14)22-18-11-15(12-21-13-18)20(24)23-17-7-9-19(25-2)10-8-17/h3-13,22H,1-2H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).