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

C20H27N5O — CID 167968311

IUPACN-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
SMILESCC1CC(C)(NC(=O)c2cccc(-n3cc(C4CCCN4C)nn3)c2)C1
InChIInChI=1S/C20H27N5O/c1-14-11-20(2,12-14)21-19(26)15-6-4-7-16(10-15)25-13-17(22-23-25)18-8-5-9-24(18)3/h4,6-7,10,13-14,18H,5,8-9,11-12H2,1-3H3,(H,21,26)
InChIKeyGDZPGMVXBAXTFX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.95
Rot. Bonds4

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

N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide (PubChem CID 167968311) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
PubChem CID167968311
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
SMILESCC1CC(C)(NC(=O)c2cccc(-n3cc(C4CCCN4C)nn3)c2)C1
InChIInChI=1S/C20H27N5O/c1-14-11-20(2,12-14)21-19(26)15-6-4-7-16(10-15)25-13-17(22-23-25)18-8-5-9-24(18)3/h4,6-7,10,13-14,18H,5,8-9,11-12H2,1-3H3,(H,21,26)
InChIKeyGDZPGMVXBAXTFX-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167819480
3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide
CID 167874197
3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide
CID 166371684
5-[1-(3-chlorophenyl)triazol-4-yl]-4-methyl-1-[(1E)-2-methylbuta-1,3-dienyl]-1,4-diazonane
CID 143411427
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide
CID 167903909
N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
CID 166371682
1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole
CID 155175844
3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
CID 167770957
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
The IUPAC name of N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide (CID 167968311) is N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide is CC1CC(C)(NC(=O)c2cccc(-n3cc(C4CCCN4C)nn3)c2)C1.
What is the InChIKey of N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
The InChIKey is GDZPGMVXBAXTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-11-20(2,12-14)21-19(26)15-6-4-7-16(10-15)25-13-17(22-23-25)18-8-5-9-24(18)3/h4,6-7,10,13-14,18H,5,8-9,11-12H2,1-3H3,(H,21,26).
What are the key properties of N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide?
N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 167968311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).