6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C20H24N2O3 — CID 71993202

IUPAC6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)c2ccc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H24N2O3/c1-13-5-8-15(9-6-13)18-16(4-3-11-25-18)12-21-19(23)17-10-7-14(2)22-20(17)24/h5-10,16,18H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWZWSWPPDFGQWFD-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.89
Rot. Bonds4

About 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71993202) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71993202
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)c2ccc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H24N2O3/c1-13-5-8-15(9-6-13)18-16(4-3-11-25-18)12-21-19(23)17-10-7-14(2)22-20(17)24/h5-10,16,18H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWZWSWPPDFGQWFD-UHFFFAOYSA-N
XLogP2.89
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 71893521
3-[2-(2,4-dimethylphenyl)morpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 72112710
N-[cis-4-(benzyloxy)tetrahydro-2H-pyran-3-yl]-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91780251
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56787251
6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976852
N-[2-(4-fluorophenyl)oxan-4-yl]-N,2-dimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 121567065
Prop-1-en-2-amine;1-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]prop-2-en-1-one
CID 171537056
3-{[2-(4-Fluorophenyl)-4-morpholinyl]carbonyl}-6-isopropyl-2-pyridinol
CID 56864803
3-[2-(4-fluorophenyl)morpholine-4-carbonyl]-6-methyl-1H-pyridin-2-one
CID 72049813
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 95469065
3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 95469066

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 71993202) is 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C2OCCCC2CNC(=O)c2ccc(C)[nH]c2=O)cc1.
What is the InChIKey of 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WZWSWPPDFGQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-5-8-15(9-6-13)18-16(4-3-11-25-18)12-21-19(23)17-10-7-14(2)22-20(17)24/h5-10,16,18H,3-4,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71993202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).