N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide

C21H26N2O — CID 119060730

IUPACN-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide
SMILESCN(CCCC1CCCC1)C(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H26N2O/c1-23(16-4-7-17-5-2-3-6-17)21(24)20-10-8-18(9-11-20)19-12-14-22-15-13-19/h8-15,17H,2-7,16H2,1H3
InChIKeyVSBIVQFRWYHPQG-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.79
Rot. Bonds6

About N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide

N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide (PubChem CID 119060730) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide
PubChem CID119060730
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide
SMILESCN(CCCC1CCCC1)C(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H26N2O/c1-23(16-4-7-17-5-2-3-6-17)21(24)20-10-8-18(9-11-20)19-12-14-22-15-13-19/h8-15,17H,2-7,16H2,1H3
InChIKeyVSBIVQFRWYHPQG-UHFFFAOYSA-N
XLogP4.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
CID 119070496
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea
CID 46911012
ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
CID 142036974
3-(1-acetylpiperidin-4-yl)oxy-N-(3-cyclopentylpropyl)-4-methoxy-N-methylbenzamide
CID 24818955
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
CID 119172965
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
3-[[4-[2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]benzoyl]-methylamino]propanoic acid
CID 11512346

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide (CID 119060730) is N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide is CN(CCCC1CCCC1)C(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide?
The InChIKey is VSBIVQFRWYHPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-23(16-4-7-17-5-2-3-6-17)21(24)20-10-8-18(9-11-20)19-12-14-22-15-13-19/h8-15,17H,2-7,16H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide?
N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide has a molecular weight of 322.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 119060730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).