1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide

C18H21N7O — CID 66744847

IUPAC1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)C1
InChIInChI=1S/C18H21N7O/c1-10-3-4-12-13(7-10)23-17(22-12)15-16(19)21-8-14(24-15)25-6-5-11(9-25)18(26)20-2/h3-4,7-8,11H,5-6,9H2,1-2H3,(H2,19,21)(H,20,26)(H,22,23)
InChIKeyMDCDIHLPPICIGJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.48
Rot. Bonds3

About 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide

1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 66744847) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID66744847
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)C1
InChIInChI=1S/C18H21N7O/c1-10-3-4-12-13(7-10)23-17(22-12)15-16(19)21-8-14(24-15)25-6-5-11(9-25)18(26)20-2/h3-4,7-8,11H,5-6,9H2,1-2H3,(H2,19,21)(H,20,26)(H,22,23)
InChIKeyMDCDIHLPPICIGJ-UHFFFAOYSA-N
XLogP1.48
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-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 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide (CID 66744847) is 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)C1.
What is the InChIKey of 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is MDCDIHLPPICIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-10-3-4-12-13(7-10)23-17(22-12)15-16(19)21-8-14(24-15)25-6-5-11(9-25)18(26)20-2/h3-4,7-8,11H,5-6,9H2,1-2H3,(H2,19,21)(H,20,26)(H,22,23).
What are the key properties of 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide?
1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 66744847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).