4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide

C17H18N2O3 — CID 155353930

IUPAC4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(CCC(C)=O)ncc1C(N)=O
InChIInChI=1S/C17H18N2O3/c1-11(20)7-8-12-9-14(15(10-19-12)17(18)21)13-5-3-4-6-16(13)22-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,21)
InChIKeyKLUHOTUQRUWQHS-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.38
Rot. Bonds6

About 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide

4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide (PubChem CID 155353930) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide
PubChem CID155353930
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(CCC(C)=O)ncc1C(N)=O
InChIInChI=1S/C17H18N2O3/c1-11(20)7-8-12-9-14(15(10-19-12)17(18)21)13-5-3-4-6-16(13)22-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,21)
InChIKeyKLUHOTUQRUWQHS-UHFFFAOYSA-N
XLogP2.38
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyanomethyl)-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353624
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
3-amino-6-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 10377153
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90580562
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide (CID 155353930) is 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide is COc1ccccc1-c1cc(CCC(C)=O)ncc1C(N)=O.
What is the InChIKey of 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide?
The InChIKey is KLUHOTUQRUWQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(20)7-8-12-9-14(15(10-19-12)17(18)21)13-5-3-4-6-16(13)22-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,21).
What are the key properties of 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide?
4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6-(3-oxobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 155353930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).