5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C19H17N7O — CID 54596779

IUPAC5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc2nc(-c3nc(C(=O)NCc4cccnc4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H17N7O/c1-11-4-5-13-14(7-11)26-18(25-13)16-17(20)22-10-15(24-16)19(27)23-9-12-3-2-6-21-8-12/h2-8,10H,9H2,1H3,(H2,20,22)(H,23,27)(H,25,26)
InChIKeyJPPLEZDEAWPQTD-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.24
Rot. Bonds4

About 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 54596779) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID54596779
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc2nc(-c3nc(C(=O)NCc4cccnc4)cnc3N)[nH]c2c1
InChIInChI=1S/C19H17N7O/c1-11-4-5-13-14(7-11)26-18(25-13)16-17(20)22-10-15(24-16)19(27)23-9-12-3-2-6-21-8-12/h2-8,10H,9H2,1H3,(H2,20,22)(H,23,27)(H,25,26)
InChIKeyJPPLEZDEAWPQTD-UHFFFAOYSA-N
XLogP2.24
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 100787093
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen
CID 158484254
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879934
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
CID 66744847

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 54596779) is 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is Cc1ccc2nc(-c3nc(C(=O)NCc4cccnc4)cnc3N)[nH]c2c1.
What is the InChIKey of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is JPPLEZDEAWPQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-11-4-5-13-14(7-11)26-18(25-13)16-17(20)22-10-15(24-16)19(27)23-9-12-3-2-6-21-8-12/h2-8,10H,9H2,1H3,(H2,20,22)(H,23,27)(H,25,26).
What are the key properties of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 54596779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).