N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H12FN3O2 — CID 20878732

IUPACN-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n2c1
InChIInChI=1S/C16H12FN3O2/c1-10-2-7-14-18-8-13(16(22)20(14)9-10)15(21)19-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,19,21)
InChIKeyZWFUEQUZSZRTDD-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.39
Rot. Bonds2

About N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878732) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878732
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n2c1
InChIInChI=1S/C16H12FN3O2/c1-10-2-7-14-18-8-13(16(22)20(14)9-10)15(21)19-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,19,21)
InChIKeyZWFUEQUZSZRTDD-UHFFFAOYSA-N
XLogP2.39
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 37163110
N-(5-chloro-2-methylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878752
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 78878950
7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 134048642
7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120577711
7-methyl-N-(2-methylpiperidin-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120602509
N-ethyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134063418
N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119605629

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878732) is N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n2c1.
What is the InChIKey of N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZWFUEQUZSZRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-2-7-14-18-8-13(16(22)20(14)9-10)15(21)19-12-5-3-11(17)4-6-12/h2-9H,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).