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

C17H14ClN3O3 — CID 110885527

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14ClN3O3/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)
InChIKeyNLRMANGPIRMCKV-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.81
Rot. Bonds4

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

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110885527) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110885527
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14ClN3O3/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)
InChIKeyNLRMANGPIRMCKV-UHFFFAOYSA-N
XLogP1.81
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111441739
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131889223
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110885527) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NLRMANGPIRMCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/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-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110885527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).