1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide

C20H24N2O3 — CID 71993216

IUPAC1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)c2ccn(C)c(=O)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-5-7-15(8-6-14)19-17(4-3-11-25-19)13-21-20(24)16-9-10-22(2)18(23)12-16/h5-10,12,17,19H,3-4,11,13H2,1-2H3,(H,21,24)
InChIKeyCLSFPZHANMFRBM-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.59
Rot. Bonds4

About 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide

1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide (PubChem CID 71993216) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide
PubChem CID71993216
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide
SMILESCc1ccc(C2OCCCC2CNC(=O)c2ccn(C)c(=O)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-5-7-15(8-6-14)19-17(4-3-11-25-19)13-21-20(24)16-9-10-22(2)18(23)12-16/h5-10,12,17,19H,3-4,11,13H2,1-2H3,(H,21,24)
InChIKeyCLSFPZHANMFRBM-UHFFFAOYSA-N
XLogP2.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136528888
5-iodo-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]thiophene-3-carboxamide
CID 146089586
N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 119794651
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794606
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111619486
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 154839354
N-ethyl-2-[[ethylamino-[[2-(4-methylphenyl)oxan-3-yl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111619883
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119329797
1,2-dimethyl-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478585

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide (CID 71993216) is 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide is Cc1ccc(C2OCCCC2CNC(=O)c2ccn(C)c(=O)c2)cc1.
What is the InChIKey of 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide?
The InChIKey is CLSFPZHANMFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-5-7-15(8-6-14)19-17(4-3-11-25-19)13-21-20(24)16-9-10-22(2)18(23)12-16/h5-10,12,17,19H,3-4,11,13H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71993216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).