N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide

C21H21N3O2 — CID 109219162

IUPACN-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Nc2cccc(C)c2)ccn1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-16(11-14)23-17-9-10-22-19(13-17)21(25)24-18-12-15(2)7-8-20(18)26-3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyXLZDHGOJUUUFPK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide (PubChem CID 109219162) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
PubChem CID109219162
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Nc2cccc(C)c2)ccn1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-16(11-14)23-17-9-10-22-19(13-17)21(25)24-18-12-15(2)7-8-20(18)26-3/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyXLZDHGOJUUUFPK-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

4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
methyl 4-chloro-3-[[4-(3-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219178

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide (CID 109219162) is N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(Nc2cccc(C)c2)ccn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide?
The InChIKey is XLZDHGOJUUUFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-5-4-6-16(11-14)23-17-9-10-22-19(13-17)21(25)24-18-12-15(2)7-8-20(18)26-3/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)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-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).