N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride

C21H29Cl2N3O2 — CID 119604417

IUPACN-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCCC2CN)cc(C)c1OCc1cccnc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-14-9-18(21(25)24-19-7-3-6-17(19)11-22)10-15(2)20(14)26-13-16-5-4-8-23-12-16;;/h4-5,8-10,12,17,19H,3,6-7,11,13,22H2,1-2H3,(H,24,25);2*1H
InChIKeySRXYUFYKWVGISN-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119604417) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
PubChem CID119604417
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCCC2CN)cc(C)c1OCc1cccnc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-14-9-18(21(25)24-19-7-3-6-17(19)11-22)10-15(2)20(14)26-13-16-5-4-8-23-12-16;;/h4-5,8-10,12,17,19H,3,6-7,11,13,22H2,1-2H3,(H,24,25);2*1H
InChIKeySRXYUFYKWVGISN-UHFFFAOYSA-N
XLogP3.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride 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,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365
3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55694410
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 39717853
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride (CID 119604417) is N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride is Cc1cc(C(=O)NC2CCCC2CN)cc(C)c1OCc1cccnc1.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is SRXYUFYKWVGISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-14-9-18(21(25)24-19-7-3-6-17(19)11-22)10-15(2)20(14)26-13-16-5-4-8-23-12-16;;/h4-5,8-10,12,17,19H,3,6-7,11,13,22H2,1-2H3,(H,24,25);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119604417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).