N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide

C17H25N3O4 — CID 27378059

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)CC(C)(C)C)CC2
InChIInChI=1S/C17H25N3O4/c1-17(2,3)10-15(22)18-5-6-19-7-8-20-11-14(24-4)13(21)9-12(20)16(19)23/h9,11H,5-8,10H2,1-4H3,(H,18,22)
InChIKeyFHAAMGBRJNGGMI-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.87
Rot. Bonds5

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

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 27378059) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID27378059
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)CC(C)(C)C)CC2
InChIInChI=1S/C17H25N3O4/c1-17(2,3)10-15(22)18-5-6-19-7-8-20-11-14(24-4)13(21)9-12(20)16(19)23/h9,11H,5-8,10H2,1-4H3,(H,18,22)
InChIKeyFHAAMGBRJNGGMI-UHFFFAOYSA-N
XLogP0.87
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide (CID 27378059) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)CC(C)(C)C)CC2.
What is the InChIKey of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is FHAAMGBRJNGGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)10-15(22)18-5-6-19-7-8-20-11-14(24-4)13(21)9-12(20)16(19)23/h9,11H,5-8,10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 335.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 27378059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).