1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide

C18H22N2O3 — CID 96529042

IUPAC1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
SMILESCC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1cccc(C)c1
InChIInChI=1S/C18H22N2O3/c1-4-15(23-16-7-5-6-13(2)10-16)12-19-18(22)14-8-9-20(3)17(21)11-14/h5-11,15H,4,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyYZSFSOAGOSQQGG-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.28
Rot. Bonds6

About 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide

1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide (PubChem CID 96529042) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
PubChem CID96529042
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
SMILESCC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1cccc(C)c1
InChIInChI=1S/C18H22N2O3/c1-4-15(23-16-7-5-6-13(2)10-16)12-19-18(22)14-8-9-20(3)17(21)11-14/h5-11,15H,4,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyYZSFSOAGOSQQGG-HNNXBMFYSA-N
XLogP2.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(2R)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
CID 96529043
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
CID 120502281
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-[2-(2-fluorophenoxy)propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71994313
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide (CID 96529042) is 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide is CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1cccc(C)c1.
What is the InChIKey of 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide?
The InChIKey is YZSFSOAGOSQQGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-15(23-16-7-5-6-13(2)10-16)12-19-18(22)14-8-9-20(3)17(21)11-14/h5-11,15H,4,12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 96529042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).