6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide

C17H18FN5O — CID 133378556

IUPAC6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)nc1
InChIInChI=1S/C17H18FN5O/c1-23(2)17(24)11-3-6-15(20-10-11)19-8-7-16-21-13-5-4-12(18)9-14(13)22-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXQPZTXICNRPEPE-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.45
Rot. Bonds5

About 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide

6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 133378556) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID133378556
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)nc1
InChIInChI=1S/C17H18FN5O/c1-23(2)17(24)11-3-6-15(20-10-11)19-8-7-16-21-13-5-4-12(18)9-14(13)22-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXQPZTXICNRPEPE-UHFFFAOYSA-N
XLogP2.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N,N-dimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133323231
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133378510

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide (CID 133378556) is 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)nc1.
What is the InChIKey of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is XQPZTXICNRPEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-23(2)17(24)11-3-6-15(20-10-11)19-8-7-16-21-13-5-4-12(18)9-14(13)22-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 133378556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).