N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide

C19H27N3O4 — CID 118631871

IUPACN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C3CCCCC3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C19H27N3O4/c1-12(2)21-8-9-22-14(10-15(23)17(24)16(22)19(21)26)11-20-18(25)13-6-4-3-5-7-13/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,25)
InChIKeyBJQCUBJDSOVFIH-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.61
Rot. Bonds4

About N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide (PubChem CID 118631871) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide
PubChem CID118631871
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C3CCCCC3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C19H27N3O4/c1-12(2)21-8-9-22-14(10-15(23)17(24)16(22)19(21)26)11-20-18(25)13-6-4-3-5-7-13/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,25)
InChIKeyBJQCUBJDSOVFIH-UHFFFAOYSA-N
XLogP1.61
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide
CID 118631851
2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
CID 118632777
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 144993830
N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
CID 144993912
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 110728045
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538910
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120

Frequently Asked Questions

What is the IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide (CID 118631871) is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide is CC(C)N1CCn2c(CNC(=O)C3CCCCC3)cc(=O)c(O)c2C1=O.
What is the InChIKey of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide?
The InChIKey is BJQCUBJDSOVFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(2)21-8-9-22-14(10-15(23)17(24)16(22)19(21)26)11-20-18(25)13-6-4-3-5-7-13/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,25).
What are the key properties of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide?
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 118631871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).