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

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Related Compounds

3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
CID 46199405
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
CID 161154968
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-ethylbutanamide;molecular hydrogen
CID 159357802
CID 88572792
CID 88572792
N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 66744263
N-[(3S)-1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 66744273
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 54596779
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol
CID 54596377
5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine
CID 54596309
1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
CID 175649549

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).