N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide

C13H11N3O3 — CID 110752252

IUPACN-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H11N3O3/c1-16(13(17)10-7-14-4-5-15-10)9-2-3-11-12(6-9)19-8-18-11/h2-7H,8H2,1H3
InChIKeyUWQGDQRTNDGJET-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.48
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide (PubChem CID 110752252) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide
PubChem CID110752252
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H11N3O3/c1-16(13(17)10-7-14-4-5-15-10)9-2-3-11-12(6-9)19-8-18-11/h2-7H,8H2,1H3
InChIKeyUWQGDQRTNDGJET-UHFFFAOYSA-N
XLogP1.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-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-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridine-3-carboxamide
CID 110752821
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985579
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 110752701
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide
CID 9464716
N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 28894383
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide (CID 110752252) is N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnccn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide?
The InChIKey is UWQGDQRTNDGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16(13(17)10-7-14-4-5-15-10)9-2-3-11-12(6-9)19-8-18-11/h2-7H,8H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 110752252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).