N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide

C18H22N2O — CID 21361607

IUPACN-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
SMILESCC(C)(C)CCNC(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H22N2O/c1-18(2,3)9-11-20-17(21)15-7-4-6-14(12-15)16-8-5-10-19-13-16/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,21)
InChIKeyNUBDFGMNROMYCJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.91
Rot. Bonds4

About N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide

N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide (PubChem CID 21361607) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
PubChem CID21361607
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
SMILESCC(C)(C)CCNC(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C18H22N2O/c1-18(2,3)9-11-20-17(21)15-7-4-6-14(12-15)16-8-5-10-19-13-16/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,21)
InChIKeyNUBDFGMNROMYCJ-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
3-pyridin-3-ylbenzoic acid
CID 2795575
N-[2-(2-oxopropanoylamino)ethyl]-3,5-dipyridin-3-ylbenzamide
CID 58342254
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 110345177
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide (CID 21361607) is N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide is CC(C)(C)CCNC(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide?
The InChIKey is NUBDFGMNROMYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)9-11-20-17(21)15-7-4-6-14(12-15)16-8-5-10-19-13-16/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,21).
What are the key properties of N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide?
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 21361607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).