N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C19H19N3O6 — CID 27378043

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C19H19N3O6/c1-26-17-10-22-7-6-21(19(25)13(22)9-14(17)23)5-4-20-18(24)12-2-3-15-16(8-12)28-11-27-15/h2-3,8-10H,4-7,11H2,1H3,(H,20,24)
InChIKeyHQRWMTCUEHLBLR-UHFFFAOYSA-N
MW385.38 g/mol
LogP0.47
Rot. Bonds5

About N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 27378043) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID27378043
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C19H19N3O6/c1-26-17-10-22-7-6-21(19(25)13(22)9-14(17)23)5-4-20-18(24)12-2-3-15-16(8-12)28-11-27-15/h2-3,8-10H,4-7,11H2,1H3,(H,20,24)
InChIKeyHQRWMTCUEHLBLR-UHFFFAOYSA-N
XLogP0.47
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
CID 27378061
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 27378078
N-[2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 41133523
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 73052052
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
4-amino-3-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 89186326
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-(3-methoxypropanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542767
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794272
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600

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]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 27378043) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc3c(c1)OCO3)CC2.
What is the InChIKey of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is HQRWMTCUEHLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-26-17-10-22-7-6-21(19(25)13(22)9-14(17)23)5-4-20-18(24)12-2-3-15-16(8-12)28-11-27-15/h2-3,8-10H,4-7,11H2,1H3,(H,20,24).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 27378043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).