4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide

C19H16N4O3 — CID 70979313

IUPAC4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc3c(cc2C)OCO3)cn1
InChIInChI=1S/C19H16N4O3/c1-11-3-4-20-7-14(11)19(24)23-18-9-21-15(8-22-18)13-6-17-16(5-12(13)2)25-10-26-17/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyHSSXSAITGGLMQS-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.14
Rot. Bonds3

About 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide

4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 70979313) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID70979313
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc3c(cc2C)OCO3)cn1
InChIInChI=1S/C19H16N4O3/c1-11-3-4-20-7-14(11)19(24)23-18-9-21-15(8-22-18)13-6-17-16(5-12(13)2)25-10-26-17/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyHSSXSAITGGLMQS-UHFFFAOYSA-N
XLogP3.14
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide (CID 70979313) is 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc3c(cc2C)OCO3)cn1.
What is the InChIKey of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is HSSXSAITGGLMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11-3-4-20-7-14(11)19(24)23-18-9-21-15(8-22-18)13-6-17-16(5-12(13)2)25-10-26-17/h3-9H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70979313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).