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

C18H16FN3O3 — CID 111566239

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(O)c3ccccc3F)c(=O)n2c1
InChIInChI=1S/C18H16FN3O3/c1-11-6-7-16-20-8-13(18(25)22(16)10-11)17(24)21-9-15(23)12-4-2-3-5-14(12)19/h2-8,10,15,23H,9H2,1H3,(H,21,24)
InChIKeyHQQUUXMZAMXWKJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.61
Rot. Bonds4

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

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111566239) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111566239
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(O)c3ccccc3F)c(=O)n2c1
InChIInChI=1S/C18H16FN3O3/c1-11-6-7-16-20-8-13(18(25)22(16)10-11)17(24)21-9-15(23)12-4-2-3-5-14(12)19/h2-8,10,15,23H,9H2,1H3,(H,21,24)
InChIKeyHQQUUXMZAMXWKJ-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-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47441467
2-[(3-Fluorophenyl)methyl]-6-(2-hydroxypentyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137255506
5-(2,6-Difluorophenyl)-3-(1,2-dihydroxy-2-phenylethyl)-2-methylpyrimidin-4-one
CID 161167314
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
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
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60330436
2-[[[2-(4-Fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 60330439
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 71865848
2-[[2-(3-Fluorophenyl)-2-hydroxyethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 75405523

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111566239) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NCC(O)c3ccccc3F)c(=O)n2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HQQUUXMZAMXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-6-7-16-20-8-13(18(25)22(16)10-11)17(24)21-9-15(23)12-4-2-3-5-14(12)19/h2-8,10,15,23H,9H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-7-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-(2-fluorophenyl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111566239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).