N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide

C20H23N3O4 — CID 155912516

IUPACN-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1C[C@H](C(=O)NCCOc2ccccc2)C[C@@H]1O)c1ccccn1
InChIInChI=1S/C20H23N3O4/c24-18-13-14(12-17(18)23-20(26)16-8-4-5-9-21-16)19(25)22-10-11-27-15-6-2-1-3-7-15/h1-9,14,17-18,24H,10-13H2,(H,22,25)(H,23,26)/t14-,17-,18-/m0/s1
InChIKeyHISWWGAIWQFJNG-WBAXXEDZSA-N
MW369.42 g/mol
LogP1.15
Rot. Bonds7

About N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide (PubChem CID 155912516) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide
PubChem CID155912516
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1C[C@H](C(=O)NCCOc2ccccc2)C[C@@H]1O)c1ccccn1
InChIInChI=1S/C20H23N3O4/c24-18-13-14(12-17(18)23-20(26)16-8-4-5-9-21-16)19(25)22-10-11-27-15-6-2-1-3-7-15/h1-9,14,17-18,24H,10-13H2,(H,22,25)(H,23,26)/t14-,17-,18-/m0/s1
InChIKeyHISWWGAIWQFJNG-WBAXXEDZSA-N
XLogP1.15
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
N-[(1S,2S)-2-diphenoxyphosphorylcyclohexyl]pyridine-2-carboxamide
CID 102579935
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
N-[(2R,3R,6S)-6-[2-(cyclohexanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54639842
N-[(2S,3S,6S)-6-[2-(cyclohexanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54639841
N-[(1R,2S,3R,4R)-2-(4-acetylpiperazin-1-yl)-3-hydroxy-4-phenoxycyclopentyl]pyridine-2-carboxamide
CID 110157395
N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911446
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide (CID 155912516) is N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide is O=C(N[C@H]1C[C@H](C(=O)NCCOc2ccccc2)C[C@@H]1O)c1ccccn1.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide?
The InChIKey is HISWWGAIWQFJNG-WBAXXEDZSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-18-13-14(12-17(18)23-20(26)16-8-4-5-9-21-16)19(25)22-10-11-27-15-6-2-1-3-7-15/h1-9,14,17-18,24H,10-13H2,(H,22,25)(H,23,26)/t14-,17-,18-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-(2-phenoxyethylcarbamoyl)cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 155912516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).