N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide

C21H20N2O3 — CID 110383139

IUPACN-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)c1C
InChIInChI=1S/C21H20N2O3/c1-15-8-6-12-19(16(15)2)22-20(24)18-11-7-13-23(21(18)25)26-14-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyKZEFLPIPRIFHCL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.35
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide

N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide (PubChem CID 110383139) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
PubChem CID110383139
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)c1C
InChIInChI=1S/C21H20N2O3/c1-15-8-6-12-19(16(15)2)22-20(24)18-11-7-13-23(21(18)25)26-14-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyKZEFLPIPRIFHCL-UHFFFAOYSA-N
XLogP3.35
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382730
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870
N-(2-acetylphenyl)-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382768
N-(2-cyanophenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382865
N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382464
1-[(4-methylphenyl)methoxy]-2-oxo-N-phenylpyridine-3-carboxamide
CID 110383127
2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 4058781
N-(3-acetylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 40505024
methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982
methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382409
N-(2-acetylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382398

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide (CID 110383139) is N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide is Cc1cccc(NC(=O)c2cccn(OCc3ccccc3)c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The InChIKey is KZEFLPIPRIFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-8-6-12-19(16(15)2)22-20(24)18-11-7-13-23(21(18)25)26-14-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 110383139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).