N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H13Cl2N3O2 — CID 17459377

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O2/c1-10(12-6-5-11(18)8-14(12)19)21-16(23)13-9-20-15-4-2-3-7-22(15)17(13)24/h2-10H,1H3,(H,21,23)
InChIKeyGZXSHBOYCZLCJJ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.49
Rot. Bonds3

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

N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 17459377) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID17459377
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O2/c1-10(12-6-5-11(18)8-14(12)19)21-16(23)13-9-20-15-4-2-3-7-22(15)17(13)24/h2-10H,1H3,(H,21,23)
InChIKeyGZXSHBOYCZLCJJ-UHFFFAOYSA-N
XLogP3.49
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-[1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 42977519
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558402
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
methyl 4-(2,4-dichlorophenyl)-5-methyl-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112830863

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 17459377) is N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GZXSHBOYCZLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-10(12-6-5-11(18)8-14(12)19)21-16(23)13-9-20-15-4-2-3-7-22(15)17(13)24/h2-10H,1H3,(H,21,23).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).