2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide

C18H21N3O3 — CID 134002839

IUPAC2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C18H21N3O3/c1-12(2)11-16(22)20-13-6-8-14(9-7-13)21-17(23)15-5-4-10-19-18(15)24-3/h4-10,12H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRIDIPDONFYMJLZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.33
Rot. Bonds6

About 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide

2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 134002839) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
PubChem CID134002839
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C18H21N3O3/c1-12(2)11-16(22)20-13-6-8-14(9-7-13)21-17(23)15-5-4-10-19-18(15)24-3/h4-10,12H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRIDIPDONFYMJLZ-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
CID 50968912
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide (CID 134002839) is 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is RIDIPDONFYMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)11-16(22)20-13-6-8-14(9-7-13)21-17(23)15-5-4-10-19-18(15)24-3/h4-10,12H,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide?
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 134002839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).