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

C17H16ClN3O3 — CID 146442059

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C17H16ClN3O3/c1-20-8-9-21-14(17(20)24)7-6-13(16(21)23)15(22)19-10-11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H,19,22)
InChIKeyNTNWJPQGSTWDRX-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.52
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146442059) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146442059
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C17H16ClN3O3/c1-20-8-9-21-14(17(20)24)7-6-13(16(21)23)15(22)19-10-11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H,19,22)
InChIKeyNTNWJPQGSTWDRX-UHFFFAOYSA-N
XLogP1.52
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146442059) is N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is NTNWJPQGSTWDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-20-8-9-21-14(17(20)24)7-6-13(16(21)23)15(22)19-10-11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146442059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).