3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide

C23H17FN4O3 — CID 44783045

IUPAC3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O)c1ccccc1
InChIInChI=1S/C23H17FN4O3/c24-17-10-8-15(9-11-17)13-26-22(30)18-7-4-12-28-20(18)25-14-19(23(28)31)27-21(29)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,30)(H,27,29)
InChIKeyFRCRINACIFHOJJ-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.02
Rot. Bonds5

About 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide

3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783045) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783045
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O)c1ccccc1
InChIInChI=1S/C23H17FN4O3/c24-17-10-8-15(9-11-17)13-26-22(30)18-7-4-12-28-20(18)25-14-19(23(28)31)27-21(29)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,30)(H,27,29)
InChIKeyFRCRINACIFHOJJ-UHFFFAOYSA-N
XLogP3.02
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
CID 44783182
N-[(4-fluorophenyl)methyl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783049
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
CID 44783180
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783213
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 60516023
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-chloro-N-[(4-chlorophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 4243646

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783045) is 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide is O=C(Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is FRCRINACIFHOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-17-10-8-15(9-11-17)13-26-22(30)18-7-4-12-28-20(18)25-14-19(23(28)31)27-21(29)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,30)(H,27,29).
What are the key properties of 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide?
3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).