N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide

C18H20ClN3O2 — CID 119602940

IUPACN-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide
SMILESNCC1CCCC1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-15-10-12(18(23)22-16-3-1-2-13(16)11-20)4-5-17(15)24-14-6-8-21-9-7-14/h4-10,13,16H,1-3,11,20H2,(H,22,23)
InChIKeyCOOUOANCUJFPMZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide

N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide (PubChem CID 119602940) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide
PubChem CID119602940
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide
SMILESNCC1CCCC1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-15-10-12(18(23)22-16-3-1-2-13(16)11-20)4-5-17(15)24-14-6-8-21-9-7-14/h4-10,13,16H,1-3,11,20H2,(H,22,23)
InChIKeyCOOUOANCUJFPMZ-UHFFFAOYSA-N
XLogP3.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide (CID 119602940) is N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide is NCC1CCCC1NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide?
The InChIKey is COOUOANCUJFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-10-12(18(23)22-16-3-1-2-13(16)11-20)4-5-17(15)24-14-6-8-21-9-7-14/h4-10,13,16H,1-3,11,20H2,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.38, 5 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-chloro-4-pyridin-4-yloxybenzamide is sourced from PubChem (CID 119602940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).