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

C17H13FN4O3 — CID 44783018

IUPAC3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESNc1cnc2ccc(C(=O)NCC(=O)c3ccc(F)cc3)cn2c1=O
InChIInChI=1S/C17H13FN4O3/c18-12-4-1-10(2-5-12)14(23)8-21-16(24)11-3-6-15-20-7-13(19)17(25)22(15)9-11/h1-7,9H,8,19H2,(H,21,24)
InChIKeyJHCIWOIJPXQYCG-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.03
Rot. Bonds4

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

3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 44783018) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID44783018
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESNc1cnc2ccc(C(=O)NCC(=O)c3ccc(F)cc3)cn2c1=O
InChIInChI=1S/C17H13FN4O3/c18-12-4-1-10(2-5-12)14(23)8-21-16(24)11-3-6-15-20-7-13(19)17(25)22(15)9-11/h1-7,9H,8,19H2,(H,21,24)
InChIKeyJHCIWOIJPXQYCG-UHFFFAOYSA-N
XLogP1.03
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
CID 44782870
N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112708097
6-fluoroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162420999
ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
CID 44782906
3-(furan-2-carbonylamino)-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783091
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
CID 44783180
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256294
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
CID 110661716
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 44783018) is 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is Nc1cnc2ccc(C(=O)NCC(=O)c3ccc(F)cc3)cn2c1=O.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is JHCIWOIJPXQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-12-4-1-10(2-5-12)14(23)8-21-16(24)11-3-6-15-20-7-13(19)17(25)22(15)9-11/h1-7,9H,8,19H2,(H,21,24).
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44783018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).