N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride

C15H20ClN5O — CID 118326090

IUPACN-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride
SMILESCc1ccc(-n2nccn2)c(C(=O)NC2CCC[C@@H]2N)c1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-10-5-6-14(20-17-7-8-18-20)11(9-10)15(21)19-13-4-2-3-12(13)16;/h5-9,12-13H,2-4,16H2,1H3,(H,19,21);1H/t12-,13?;/m0./s1
InChIKeyYUPHRXVZAXUKBE-NQJMHYHOSA-N
MW321.81 g/mol
LogP1.61
Rot. Bonds3

About N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride

N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride (PubChem CID 118326090) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride
PubChem CID118326090
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride
SMILESCc1ccc(-n2nccn2)c(C(=O)NC2CCC[C@@H]2N)c1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-10-5-6-14(20-17-7-8-18-20)11(9-10)15(21)19-13-4-2-3-12(13)16;/h5-9,12-13H,2-4,16H2,1H3,(H,19,21);1H/t12-,13?;/m0./s1
InChIKeyYUPHRXVZAXUKBE-NQJMHYHOSA-N
XLogP1.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317039
5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122438908
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317054
N-(2-aminocyclopentyl)-2,4-difluorobenzamide
CID 55169899
N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63258060
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
CID 63251463

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride?
The IUPAC name of N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride (CID 118326090) is N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride is Cc1ccc(-n2nccn2)c(C(=O)NC2CCC[C@@H]2N)c1.Cl.
What is the InChIKey of N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride?
The InChIKey is YUPHRXVZAXUKBE-NQJMHYHOSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-10-5-6-14(20-17-7-8-18-20)11(9-10)15(21)19-13-4-2-3-12(13)16;/h5-9,12-13H,2-4,16H2,1H3,(H,19,21);1H/t12-,13?;/m0./s1.
What are the key properties of N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride?
N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 118326090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).