N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride

C17H19ClN4O2 — CID 110791294

IUPACN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(CCNC(=O)c3ccncc3)ccc21
InChIInChI=1S/C17H18N4O2.ClH/c1-20-14-4-3-12(11-15(14)21(2)17(20)23)5-10-19-16(22)13-6-8-18-9-7-13;/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,22);1H
InChIKeyGBFXSCRJCPVUCB-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride

N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110791294) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110791294
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)n(C)c2cc(CCNC(=O)c3ccncc3)ccc21
InChIInChI=1S/C17H18N4O2.ClH/c1-20-14-4-3-12(11-15(14)21(2)17(20)23)5-10-19-16(22)13-6-8-18-9-7-13;/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,22);1H
InChIKeyGBFXSCRJCPVUCB-UHFFFAOYSA-N
XLogP1.67
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
CID 110776177
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
CID 110792165
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110791080
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110772244
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride (CID 110791294) is N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride is Cl.Cn1c(=O)n(C)c2cc(CCNC(=O)c3ccncc3)ccc21.
What is the InChIKey of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is GBFXSCRJCPVUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.ClH/c1-20-14-4-3-12(11-15(14)21(2)17(20)23)5-10-19-16(22)13-6-8-18-9-7-13;/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride?
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110791294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).