4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide

C23H21N3O4 — CID 172671910

IUPAC4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(CCc2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C23H21N3O4/c1-15-9-11-26(12-10-16-5-3-2-4-6-16)23(29)21(15)22(28)24-17-7-8-18-19(13-17)30-14-20(27)25-18/h2-9,11,13H,10,12,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyYBNFOZAEVPVINX-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.98
Rot. Bonds5

About 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide

4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 172671910) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID172671910
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(CCc2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C23H21N3O4/c1-15-9-11-26(12-10-16-5-3-2-4-6-16)23(29)21(15)22(28)24-17-7-8-18-19(13-17)30-14-20(27)25-18/h2-9,11,13H,10,12,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyYBNFOZAEVPVINX-UHFFFAOYSA-N
XLogP2.98
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172661780
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172670938
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 82212135
1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide
CID 71920872
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
4-methyl-2-oxo-N-(2-oxooxolan-3-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665459
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843
4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172655551
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893226

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide (CID 172671910) is 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide is Cc1ccn(CCc2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YBNFOZAEVPVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-9-11-26(12-10-16-5-3-2-4-6-16)23(29)21(15)22(28)24-17-7-8-18-19(13-17)30-14-20(27)25-18/h2-9,11,13H,10,12,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide?
4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172671910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).