N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride

C14H13ClN4O2 — CID 110785256

IUPACN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccncc1
InChIInChI=1S/C14H12N4O2.ClH/c19-13(10-3-5-15-6-4-10)16-8-9-1-2-11-12(7-9)18-14(20)17-11;/h1-7H,8H2,(H,16,19)(H2,17,18,20);1H
InChIKeyFUAZYZKIVKUIFW-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.60
Rot. Bonds3

About N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110785256) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110785256
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccncc1
InChIInChI=1S/C14H12N4O2.ClH/c19-13(10-3-5-15-6-4-10)16-8-9-1-2-11-12(7-9)18-14(20)17-11;/h1-7H,8H2,(H,16,19)(H2,17,18,20);1H
InChIKeyFUAZYZKIVKUIFW-UHFFFAOYSA-N
XLogP1.60
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75454611
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 75503782
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709566
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride (CID 110785256) is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccncc1.
What is the InChIKey of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is FUAZYZKIVKUIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2.ClH/c19-13(10-3-5-15-6-4-10)16-8-9-1-2-11-12(7-9)18-14(20)17-11;/h1-7H,8H2,(H,16,19)(H2,17,18,20);1H.
What are the key properties of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride?
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110785256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).