5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide

C18H22N4O3 — CID 109288431

IUPAC5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C18H22N4O3/c1-3-4-7-22(2)17-12-19-14(11-20-17)18(23)21-13-5-6-15-16(10-13)25-9-8-24-15/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,23)
InChIKeyQIWOOSRGBWAJDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.74
Rot. Bonds6

About 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide

5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide (PubChem CID 109288431) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
PubChem CID109288431
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C18H22N4O3/c1-3-4-7-22(2)17-12-19-14(11-20-17)18(23)21-13-5-6-15-16(10-13)25-9-8-24-15/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,23)
InChIKeyQIWOOSRGBWAJDZ-UHFFFAOYSA-N
XLogP2.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289086
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
5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109288366
5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370
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)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine-4-carboxamide
CID 109320582
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide (CID 109288431) is 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide is CCCCN(C)c1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
The InChIKey is QIWOOSRGBWAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-4-7-22(2)17-12-19-14(11-20-17)18(23)21-13-5-6-15-16(10-13)25-9-8-24-15/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,21,23).
What are the key properties of 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide?
5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).