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

C23H35N3O4 — CID 118631851

IUPACN-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(Cc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O)C1CCCCC1
InChIInChI=1S/C23H35N3O4/c1-15(2)12-20(28)26(17-8-6-5-7-9-17)14-18-13-19(27)22(29)21-23(30)24(16(3)4)10-11-25(18)21/h13,15-17,29H,5-12,14H2,1-4H3
InChIKeyLMYQZBQBYPTZNY-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.13
Rot. Bonds6

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

N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide (PubChem CID 118631851) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide
PubChem CID118631851
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC NameN-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(Cc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O)C1CCCCC1
InChIInChI=1S/C23H35N3O4/c1-15(2)12-20(28)26(17-8-6-5-7-9-17)14-18-13-19(27)22(29)21-23(30)24(16(3)4)10-11-25(18)21/h13,15-17,29H,5-12,14H2,1-4H3
InChIKeyLMYQZBQBYPTZNY-UHFFFAOYSA-N
XLogP3.13
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide 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-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide?
The IUPAC name of 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) is N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide is CC(C)CC(=O)N(Cc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide?
The InChIKey is LMYQZBQBYPTZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-15(2)12-20(28)26(17-8-6-5-7-9-17)14-18-13-19(27)22(29)21-23(30)24(16(3)4)10-11-25(18)21/h13,15-17,29H,5-12,14H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide?
N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide has a molecular weight of 417.55 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 118631851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).