6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide

C17H20N2O3 — CID 75375675

IUPAC6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide
SMILESCCC(CNC(=O)c1c[nH]c(C)cc1=O)Oc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-3-13(22-14-7-5-4-6-8-14)10-19-17(21)15-11-18-12(2)9-16(15)20/h4-9,11,13H,3,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOGZMJVLFBRIIRF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.27
Rot. Bonds6

About 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide (PubChem CID 75375675) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide
PubChem CID75375675
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide
SMILESCCC(CNC(=O)c1c[nH]c(C)cc1=O)Oc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-3-13(22-14-7-5-4-6-8-14)10-19-17(21)15-11-18-12(2)9-16(15)20/h4-9,11,13H,3,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOGZMJVLFBRIIRF-UHFFFAOYSA-N
XLogP2.27
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103819928
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
N-(2-hydroxy-3-methoxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113278446
6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 95906203
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-[2-[butan-2-yl(methyl)amino]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717923
N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 71849189
N-[2-[cyclopropyl(methyl)amino]propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717932
N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97018614

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide (CID 75375675) is 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide is CCC(CNC(=O)c1c[nH]c(C)cc1=O)Oc1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide?
The InChIKey is OGZMJVLFBRIIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-13(22-14-7-5-4-6-8-14)10-19-17(21)15-11-18-12(2)9-16(15)20/h4-9,11,13H,3,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75375675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).