N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride

C18H23Cl2N3O2 — CID 119565137

IUPACN-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCCC1
InChIInChI=1S/C18H21N3O2.2ClH/c19-13-18(8-1-2-9-18)21-17(22)14-4-3-5-16(12-14)23-15-6-10-20-11-7-15;;/h3-7,10-12H,1-2,8-9,13,19H2,(H,21,22);2*1H
InChIKeyWQAUZUWNGIDQPS-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.72
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride (PubChem CID 119565137) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
PubChem CID119565137
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCCC1
InChIInChI=1S/C18H21N3O2.2ClH/c19-13-18(8-1-2-9-18)21-17(22)14-4-3-5-16(12-14)23-15-6-10-20-11-7-15;;/h3-7,10-12H,1-2,8-9,13,19H2,(H,21,22);2*1H
InChIKeyWQAUZUWNGIDQPS-UHFFFAOYSA-N
XLogP3.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;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-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876
N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
CID 119640034
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
N-[1-(aminomethyl)cyclopentyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 119565911
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 120807953
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride (CID 119565137) is N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The InChIKey is WQAUZUWNGIDQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.2ClH/c19-13-18(8-1-2-9-18)21-17(22)14-4-3-5-16(12-14)23-15-6-10-20-11-7-15;;/h3-7,10-12H,1-2,8-9,13,19H2,(H,21,22);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride has a molecular weight of 384.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 119565137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).