(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide

C14H21N3O2 — CID 155501002

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)C[C@H]1O
InChIInChI=1S/C14H21N3O2/c15-12-8-10(9-13(12)18)14(19)17-7-3-5-11-4-1-2-6-16-11/h1-2,4,6,10,12-13,18H,3,5,7-9,15H2,(H,17,19)/t10-,12+,13+/m0/s1
InChIKeyCEWDLHJPKUUXBN-CYZMBNFOSA-N
MW263.34 g/mol
LogP0.23
Rot. Bonds5

About (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide

(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 155501002) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
PubChem CID155501002
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)C[C@H]1O
InChIInChI=1S/C14H21N3O2/c15-12-8-10(9-13(12)18)14(19)17-7-3-5-11-4-1-2-6-16-11/h1-2,4,6,10,12-13,18H,3,5,7-9,15H2,(H,17,19)/t10-,12+,13+/m0/s1
InChIKeyCEWDLHJPKUUXBN-CYZMBNFOSA-N
XLogP0.23
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide (CID 155501002) is (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide is N[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is CEWDLHJPKUUXBN-CYZMBNFOSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-8-10(9-13(12)18)14(19)17-7-3-5-11-4-1-2-6-16-11/h1-2,4,6,10,12-13,18H,3,5,7-9,15H2,(H,17,19)/t10-,12+,13+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide?
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 155501002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).