1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide

C20H18N2O3 — CID 6480785

IUPAC1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-22-13-19(25-14-15-8-4-2-5-9-15)18(23)12-17(22)20(24)21-16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,21,24)
InChIKeyVHZOWLRHOORKMR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.22
Rot. Bonds5

About 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide

1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 6480785) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide
PubChem CID6480785
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O3/c1-22-13-19(25-14-15-8-4-2-5-9-15)18(23)12-17(22)20(24)21-16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,21,24)
InChIKeyVHZOWLRHOORKMR-UHFFFAOYSA-N
XLogP3.22
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide (CID 6480785) is 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is VHZOWLRHOORKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22-13-19(25-14-15-8-4-2-5-9-15)18(23)12-17(22)20(24)21-16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H,21,24).
What are the key properties of 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide?
1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-phenyl-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 6480785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).