N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H16FN3O3 — CID 110891745

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(O)c3ccc(F)cc3)cnc2c1
InChIInChI=1S/C18H16FN3O3/c1-11-6-7-22-16(8-11)20-9-14(18(22)25)17(24)21-10-15(23)12-2-4-13(19)5-3-12/h2-9,15,23H,10H2,1H3,(H,21,24)
InChIKeyKQSICHUOIIBNAQ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110891745) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110891745
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(O)c3ccc(F)cc3)cnc2c1
InChIInChI=1S/C18H16FN3O3/c1-11-6-7-22-16(8-11)20-9-14(18(22)25)17(24)21-10-15(23)12-2-4-13(19)5-3-12/h2-9,15,23H,10H2,1H3,(H,21,24)
InChIKeyKQSICHUOIIBNAQ-UHFFFAOYSA-N
XLogP1.61
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.61
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-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 86779355
5-(2,6-Difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one
CID 161167314
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
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]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60330217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110891745) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCC(O)c3ccc(F)cc3)cnc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KQSICHUOIIBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-6-7-22-16(8-11)20-9-14(18(22)25)17(24)21-10-15(23)12-2-4-13(19)5-3-12/h2-9,15,23H,10H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.61, 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]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110891745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).