N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride

C13H11ClN4O — CID 110778958

IUPACN-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2nc[nH]c2c1)c1ccncc1
InChIInChI=1S/C13H10N4O.ClH/c18-13(9-3-5-14-6-4-9)17-10-1-2-11-12(7-10)16-8-15-11;/h1-8H,(H,15,16)(H,17,18);1H
InChIKeyDCDALXPAQUTHJL-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.63
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride

N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride (PubChem CID 110778958) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
PubChem CID110778958
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2nc[nH]c2c1)c1ccncc1
InChIInChI=1S/C13H10N4O.ClH/c18-13(9-3-5-14-6-4-9)17-10-1-2-11-12(7-10)16-8-15-11;/h1-8H,(H,15,16)(H,17,18);1H
InChIKeyDCDALXPAQUTHJL-UHFFFAOYSA-N
XLogP2.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride (CID 110778958) is N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2nc[nH]c2c1)c1ccncc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride?
The InChIKey is DCDALXPAQUTHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O.ClH/c18-13(9-3-5-14-6-4-9)17-10-1-2-11-12(7-10)16-8-15-11;/h1-8H,(H,15,16)(H,17,18);1H.
What are the key properties of N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride?
N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride has a molecular weight of 274.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110778958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).