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

C18H27N3O4 — CID 118631870

IUPACN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)N1CCn2c(CNC(=O)CC(C)(C)C)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H27N3O4/c1-11(2)20-6-7-21-12(10-19-14(23)9-18(3,4)5)8-13(22)16(24)15(21)17(20)25/h8,11,24H,6-7,9-10H2,1-5H3,(H,19,23)
InChIKeyNBPSPRFHIWOVDS-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.47
Rot. Bonds4

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

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 118631870) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 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]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide
PubChem CID118631870
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)N1CCn2c(CNC(=O)CC(C)(C)C)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H27N3O4/c1-11(2)20-6-7-21-12(10-19-14(23)9-18(3,4)5)8-13(22)16(24)15(21)17(20)25/h8,11,24H,6-7,9-10H2,1-5H3,(H,19,23)
InChIKeyNBPSPRFHIWOVDS-UHFFFAOYSA-N
XLogP1.47
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-3,3-dimethylbutanamide?
The IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide (CID 118631870) is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide.
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]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide is CC(C)N1CCn2c(CNC(=O)CC(C)(C)C)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]-3,3-dimethylbutanamide?
The InChIKey is NBPSPRFHIWOVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11(2)20-6-7-21-12(10-19-14(23)9-18(3,4)5)8-13(22)16(24)15(21)17(20)25/h8,11,24H,6-7,9-10H2,1-5H3,(H,19,23).
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]-3,3-dimethylbutanamide?
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 349.43 g/mol, XLogP of 1.47, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 118631870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).