5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide

C24H24N6O — CID 122438908

IUPAC5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@H]2Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H24N6O/c1-16-9-11-22(30-25-13-14-26-30)18(15-16)24(31)29-21-8-4-7-20(21)28-23-12-10-17-5-2-3-6-19(17)27-23/h2-3,5-6,9-15,20-21H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t20-,21+/m1/s1
InChIKeyWSBPEVZVXLTIAJ-RTWAWAEBSA-N
MW412.50 g/mol
LogP3.89
Rot. Bonds5

About 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide

5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 122438908) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Name5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID122438908
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@H]2Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H24N6O/c1-16-9-11-22(30-25-13-14-26-30)18(15-16)24(31)29-21-8-4-7-20(21)28-23-12-10-17-5-2-3-6-19(17)27-23/h2-3,5-6,9-15,20-21H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t20-,21+/m1/s1
InChIKeyWSBPEVZVXLTIAJ-RTWAWAEBSA-N
XLogP3.89
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-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

5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317039
N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride
CID 118326090
N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317054
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
[5-methyl-2-(triazol-2-yl)phenyl]-[2-(2-quinolin-2-ylethynyl)piperidin-1-yl]methanone
CID 71522462
trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
CID 99857876
N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122691314
[2-methyl-3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90405505
2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
CID 118317099
N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118308153
[5-methyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(5-phenylpyrazolidin-3-yl)pyrrolidin-1-yl]methanone
CID 134611818
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide (CID 122438908) is 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@H]2Nc2ccc3ccccc3n2)c1.
What is the InChIKey of 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is WSBPEVZVXLTIAJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-9-11-22(30-25-13-14-26-30)18(15-16)24(31)29-21-8-4-7-20(21)28-23-12-10-17-5-2-3-6-19(17)27-23/h2-3,5-6,9-15,20-21H,4,7-8H2,1H3,(H,27,28)(H,29,31)/t20-,21+/m1/s1.
What are the key properties of 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 412.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 122438908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).