N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C18H18ClN3O4 — CID 146441844

IUPACN-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CCO)C2=O
InChIInChI=1S/C18H18ClN3O4/c19-13-3-1-12(2-4-13)11-20-16(24)14-5-6-15-18(26)21(9-10-23)7-8-22(15)17(14)25/h1-6,23H,7-11H2,(H,20,24)
InChIKeyTUWRDCLSKVKMAG-UHFFFAOYSA-N
MW375.81 g/mol
LogP0.88
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146441844) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146441844
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CCO)C2=O
InChIInChI=1S/C18H18ClN3O4/c19-13-3-1-12(2-4-13)11-20-16(24)14-5-6-15-18(26)21(9-10-23)7-8-22(15)17(14)25/h1-6,23H,7-11H2,(H,20,24)
InChIKeyTUWRDCLSKVKMAG-UHFFFAOYSA-N
XLogP0.88
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146441844) is N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CCO)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is TUWRDCLSKVKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c19-13-3-1-12(2-4-13)11-20-16(24)14-5-6-15-18(26)21(9-10-23)7-8-22(15)17(14)25/h1-6,23H,7-11H2,(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-hydroxyethyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146441844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).