N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide

C19H24N4O3 — CID 109289086

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
SMILESCCCN(CCC)c1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C19H24N4O3/c1-3-7-23(8-4-2)18-13-20-15(12-21-18)19(24)22-14-5-6-16-17(11-14)26-10-9-25-16/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24)
InChIKeyIGHOPCUCJJSQEU-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.13
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide (PubChem CID 109289086) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
PubChem CID109289086
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
SMILESCCCN(CCC)c1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C19H24N4O3/c1-3-7-23(8-4-2)18-13-20-15(12-21-18)19(24)22-14-5-6-16-17(11-14)26-10-9-25-16/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24)
InChIKeyIGHOPCUCJJSQEU-UHFFFAOYSA-N
XLogP3.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-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

5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109125639
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280201
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide (CID 109289086) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide is CCCN(CCC)c1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide?
The InChIKey is IGHOPCUCJJSQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-7-23(8-4-2)18-13-20-15(12-21-18)19(24)22-14-5-6-16-17(11-14)26-10-9-25-16/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).