N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide

C18H15N7O — CID 117087702

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(Nc2cnccn2)n1
InChIInChI=1S/C18H15N7O/c26-18(21-11-17-22-12-4-1-2-5-13(12)23-17)14-6-3-7-15(24-14)25-16-10-19-8-9-20-16/h1-10H,11H2,(H,21,26)(H,22,23)(H,20,24,25)
InChIKeyJCDKPMLVBSJCCO-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.42
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide (PubChem CID 117087702) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide
PubChem CID117087702
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(Nc2cnccn2)n1
InChIInChI=1S/C18H15N7O/c26-18(21-11-17-22-12-4-1-2-5-13(12)23-17)14-6-3-7-15(24-14)25-16-10-19-8-9-20-16/h1-10H,11H2,(H,21,26)(H,22,23)(H,20,24,25)
InChIKeyJCDKPMLVBSJCCO-UHFFFAOYSA-N
XLogP2.42
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 138723232
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CID 14371322
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
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CID 117089781
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CID 105055625
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
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N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
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CID 47008572

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide (CID 117087702) is N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1cccc(Nc2cnccn2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide?
The InChIKey is JCDKPMLVBSJCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c26-18(21-11-17-22-12-4-1-2-5-13(12)23-17)14-6-3-7-15(24-14)25-16-10-19-8-9-20-16/h1-10H,11H2,(H,21,26)(H,22,23)(H,20,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 117087702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).