3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide

C18H21N3O2 — CID 119846154

IUPAC3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(OCc3cccnc3)c2)C1
InChIInChI=1S/C18H21N3O2/c19-15-7-6-14(9-15)18(22)21-16-4-1-5-17(10-16)23-12-13-3-2-8-20-11-13/h1-5,8,10-11,14-15H,6-7,9,12,19H2,(H,21,22)
InChIKeyJWEHMXIGMJEGGD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 119846154) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID119846154
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(OCc3cccnc3)c2)C1
InChIInChI=1S/C18H21N3O2/c19-15-7-6-14(9-15)18(22)21-16-4-1-5-17(10-16)23-12-13-3-2-8-20-11-13/h1-5,8,10-11,14-15H,6-7,9,12,19H2,(H,21,22)
InChIKeyJWEHMXIGMJEGGD-UHFFFAOYSA-N
XLogP2.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 119739954
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846156
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
3-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785191
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55804721
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide (CID 119846154) is 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(OCc3cccnc3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is JWEHMXIGMJEGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15-7-6-14(9-15)18(22)21-16-4-1-5-17(10-16)23-12-13-3-2-8-20-11-13/h1-5,8,10-11,14-15H,6-7,9,12,19H2,(H,21,22).
What are the key properties of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119846154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).