7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide

C17H12N4O4 — CID 37163110

IUPAC7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)c(=O)n2c1
InChIInChI=1S/C17H12N4O4/c1-9-2-5-14-18-7-11(16(23)21(14)8-9)15(22)19-10-3-4-13-12(6-10)20-17(24)25-13/h2-8H,1H3,(H,19,22)(H,20,24)
InChIKeyUOKKTZPJFOFFPD-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.69
Rot. Bonds2

About 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 37163110) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID37163110
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)c(=O)n2c1
InChIInChI=1S/C17H12N4O4/c1-9-2-5-14-18-7-11(16(23)21(14)8-9)15(22)19-10-3-4-13-12(6-10)20-17(24)25-13/h2-8H,1H3,(H,19,22)(H,20,24)
InChIKeyUOKKTZPJFOFFPD-UHFFFAOYSA-N
XLogP1.69
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
N-(4-bromophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878735
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 167951141
N-(5-chloro-2-methylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878752
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38468248
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 37163110) is 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UOKKTZPJFOFFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c1-9-2-5-14-18-7-11(16(23)21(14)8-9)15(22)19-10-3-4-13-12(6-10)20-17(24)25-13/h2-8H,1H3,(H,19,22)(H,20,24).
What are the key properties of 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 37163110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).