2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid

C18H15FN4O4 — CID 44783182

IUPAC2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
SMILESO=C(O)CNc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O
InChIInChI=1S/C18H15FN4O4/c19-12-5-3-11(4-6-12)8-22-17(26)13-2-1-7-23-16(13)21-9-14(18(23)27)20-10-15(24)25/h1-7,9,20H,8,10H2,(H,22,26)(H,24,25)
InChIKeyBANGWIJUHPAZEZ-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.26
Rot. Bonds6

About 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid

2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid (PubChem CID 44783182) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
PubChem CID44783182
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
SMILESO=C(O)CNc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O
InChIInChI=1S/C18H15FN4O4/c19-12-5-3-11(4-6-12)8-22-17(26)13-2-1-7-23-16(13)21-9-14(18(23)27)20-10-15(24)25/h1-7,9,20H,8,10H2,(H,22,26)(H,24,25)
InChIKeyBANGWIJUHPAZEZ-UHFFFAOYSA-N
XLogP1.26
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid with MolForge

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Related Compounds

3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783045
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783049
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
CID 44783180
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783213
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783214
N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783208
3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783219
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
2-chloro-N-[(4-chlorophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4243646
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384946
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788

Frequently Asked Questions

What is the IUPAC name of 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid (CID 44783182) is 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid is O=C(O)CNc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O.
What is the InChIKey of 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid?
The InChIKey is BANGWIJUHPAZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-12-5-3-11(4-6-12)8-22-17(26)13-2-1-7-23-16(13)21-9-14(18(23)27)20-10-15(24)25/h1-7,9,20H,8,10H2,(H,22,26)(H,24,25).
What are the key properties of 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid?
2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid has a molecular weight of 370.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid is sourced from PubChem (CID 44783182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).