3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C19H27N3O3 — CID 146357796

IUPAC3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn2c(c(C)c1=O)C(=O)N(C1CC(C)C1)C(C)C2
InChIInChI=1S/C19H27N3O3/c1-5-6-20-18(24)15-10-21-9-12(3)22(14-7-11(2)8-14)19(25)16(21)13(4)17(15)23/h10-12,14H,5-9H2,1-4H3,(H,20,24)
InChIKeyDUMYNLVBXGVNKK-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.94
Rot. Bonds4

About 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146357796) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146357796
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn2c(c(C)c1=O)C(=O)N(C1CC(C)C1)C(C)C2
InChIInChI=1S/C19H27N3O3/c1-5-6-20-18(24)15-10-21-9-12(3)22(14-7-11(2)8-14)19(25)16(21)13(4)17(15)23/h10-12,14H,5-9H2,1-4H3,(H,20,24)
InChIKeyDUMYNLVBXGVNKK-UHFFFAOYSA-N
XLogP1.94
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146357796) is 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CCCNC(=O)c1cn2c(c(C)c1=O)C(=O)N(C1CC(C)C1)C(C)C2.
What is the InChIKey of 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is DUMYNLVBXGVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-6-20-18(24)15-10-21-9-12(3)22(14-7-11(2)8-14)19(25)16(21)13(4)17(15)23/h10-12,14H,5-9H2,1-4H3,(H,20,24).
What are the key properties of 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146357796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).