N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide

C20H27N5O — CID 167819480

IUPACN-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
SMILESCN1CCCC1c1cn(-c2cccc(C(=O)NCC3CCCC3)c2)nn1
InChIInChI=1S/C20H27N5O/c1-24-11-5-10-19(24)18-14-25(23-22-18)17-9-4-8-16(12-17)20(26)21-13-15-6-2-3-7-15/h4,8-9,12,14-15,19H,2-3,5-7,10-11,13H2,1H3,(H,21,26)
InChIKeyBWKNBMLKJGFXHS-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.95
Rot. Bonds5

About N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide

N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide (PubChem CID 167819480) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
PubChem CID167819480
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
SMILESCN1CCCC1c1cn(-c2cccc(C(=O)NCC3CCCC3)c2)nn1
InChIInChI=1S/C20H27N5O/c1-24-11-5-10-19(24)18-14-25(23-22-18)17-9-4-8-16(12-17)20(26)21-13-15-6-2-3-7-15/h4,8-9,12,14-15,19H,2-3,5-7,10-11,13H2,1H3,(H,21,26)
InChIKeyBWKNBMLKJGFXHS-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide
CID 167874197
N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167968311
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
5-[1-(3-chlorophenyl)triazol-4-yl]-4-methyl-1-[(1E)-2-methylbuta-1,3-dienyl]-1,4-diazonane
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N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 95216055
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 51131078
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide (CID 167819480) is N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide is CN1CCCC1c1cn(-c2cccc(C(=O)NCC3CCCC3)c2)nn1.
What is the InChIKey of N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
The InChIKey is BWKNBMLKJGFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24-11-5-10-19(24)18-14-25(23-22-18)17-9-4-8-16(12-17)20(26)21-13-15-6-2-3-7-15/h4,8-9,12,14-15,19H,2-3,5-7,10-11,13H2,1H3,(H,21,26).
What are the key properties of N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 167819480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).