N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride

C14H13ClN4O — CID 110779100

IUPACN-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.Cn1cnc2cc(NC(=O)c3cccnc3)ccc21
InChIInChI=1S/C14H12N4O.ClH/c1-18-9-16-12-7-11(4-5-13(12)18)17-14(19)10-3-2-6-15-8-10;/h2-9H,1H3,(H,17,19);1H
InChIKeyJFCYCAFGXUTMQR-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.64
Rot. Bonds2

About N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride

N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 110779100) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID110779100
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.Cn1cnc2cc(NC(=O)c3cccnc3)ccc21
InChIInChI=1S/C14H12N4O.ClH/c1-18-9-16-12-7-11(4-5-13(12)18)17-14(19)10-3-2-6-15-8-10;/h2-9H,1H3,(H,17,19);1H
InChIKeyJFCYCAFGXUTMQR-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
CID 110728522
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride (CID 110779100) is N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride is Cl.Cn1cnc2cc(NC(=O)c3cccnc3)ccc21.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is JFCYCAFGXUTMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O.ClH/c1-18-9-16-12-7-11(4-5-13(12)18)17-14(19)10-3-2-6-15-8-10;/h2-9H,1H3,(H,17,19);1H.
What are the key properties of N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride?
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110779100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).