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

C17H14FN3O3 — CID 110888730

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14FN3O3/c18-12-6-4-11(5-7-12)14(22)10-20-16(23)13-9-19-15-3-1-2-8-21(15)17(13)24/h1-9,14,22H,10H2,(H,20,23)
InChIKeyVVOMGBVEEVFJEE-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.30
Rot. Bonds4

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

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110888730) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110888730
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14FN3O3/c18-12-6-4-11(5-7-12)14(22)10-20-16(23)13-9-19-15-3-1-2-8-21(15)17(13)24/h1-9,14,22H,10H2,(H,20,23)
InChIKeyVVOMGBVEEVFJEE-UHFFFAOYSA-N
XLogP1.30
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884346
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884356
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47441467
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38507021
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38507022
N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38518933
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38518937
2-[[2-(2-Fluorophenyl)-2-hydroxyethyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 45813701
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51126501
5-{[2-(4-fluorophenyl)morpholin-4-yl]carbonyl}-2-isopropylpyrimidin-4(3H)-one
CID 56875287
2-[[Cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60330291
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60330396

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110888730) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VVOMGBVEEVFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-12-6-4-11(5-7-12)14(22)10-20-16(23)13-9-19-15-3-1-2-8-21(15)17(13)24/h1-9,14,22H,10H2,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110888730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).