2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide

C25H31N3O4 — CID 27378095

IUPAC2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O
InChIInChI=1S/C25H31N3O4/c29-22-16-21-25(31)27(12-11-26-24(30)15-19-7-3-1-4-8-19)13-14-28(21)17-23(22)32-18-20-9-5-2-6-10-20/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15,18H2,(H,26,30)
InChIKeyARKYGQVGISPJRA-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.97
Rot. Bonds8

About 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide

2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide (PubChem CID 27378095) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
PubChem CID27378095
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O
InChIInChI=1S/C25H31N3O4/c29-22-16-21-25(31)27(12-11-26-24(30)15-19-7-3-1-4-8-19)13-14-28(21)17-23(22)32-18-20-9-5-2-6-10-20/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15,18H2,(H,26,30)
InChIKeyARKYGQVGISPJRA-UHFFFAOYSA-N
XLogP2.97
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-yl)-3-cyclohexyl-propionylamino]-6-carbamoyl-hex-2-enoic acid ethyl ester
CID 6477657
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 164613614
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-fluorobenzamide
CID 27378083
N-(2-(7-(benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-fluorobenzamide
CID 27378084
N-(2-{6-[(p-fluorophenyl)methoxy]-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl}ethyl)propionamide
CID 27378104
2-ethyl-N-(2-(7-((4-fluorobenzyl)oxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)butanamide
CID 27378105
N-(2-{6-[(p-fluorophenyl)methoxy]-1,7-dioxo-2,4a-diaza-1,3,4,7-tetrahydro-2H-naphth-2-yl}ethyl)cyclopentylacetamide
CID 27378107
N-(2-(7-((4-fluorobenzyl)oxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-methylbenzamide
CID 27378108
N-(2-(7-((4-fluorobenzyl)oxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-methylbenzamide
CID 27378109
Ethyl 4-(5-((4-fluorobenzyl)oxy)-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamido)piperidine-1-carboxylate
CID 42441283
N-cycloheptyl-5-[(p-fluorophenyl)methoxy]-1-methyl-4-oxo-1,4-dihydro-2-pyridinecarboxamide
CID 42441335
N-[(S)-1-methyl-3-phenylpropyl]-5-[(p-fluorophenyl)methoxy]-1-methyl-4-oxo-1,4-dihydro-2-pyridinecarboxamide
CID 42441382

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide (CID 27378095) is 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide is O=C(CC1CCCCC1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O.
What is the InChIKey of 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The InChIKey is ARKYGQVGISPJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c29-22-16-21-25(31)27(12-11-26-24(30)15-19-7-3-1-4-8-19)13-14-28(21)17-23(22)32-18-20-9-5-2-6-10-20/h2,5-6,9-10,16-17,19H,1,3-4,7-8,11-15,18H2,(H,26,30).
What are the key properties of 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide is sourced from PubChem (CID 27378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).