N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide

C15H20N2O3 — CID 90624993

IUPACN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(O)Cn1ccccc1=O)C1CC=CCC1
InChIInChI=1S/C15H20N2O3/c18-13(11-17-9-5-4-8-14(17)19)10-16-15(20)12-6-2-1-3-7-12/h1-2,4-5,8-9,12-13,18H,3,6-7,10-11H2,(H,16,20)
InChIKeyJVJOJZKXUNHTHU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.68
Rot. Bonds5

About N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide (PubChem CID 90624993) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide
PubChem CID90624993
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(O)Cn1ccccc1=O)C1CC=CCC1
InChIInChI=1S/C15H20N2O3/c18-13(11-17-9-5-4-8-14(17)19)10-16-15(20)12-6-2-1-3-7-12/h1-2,4-5,8-9,12-13,18H,3,6-7,10-11H2,(H,16,20)
InChIKeyJVJOJZKXUNHTHU-UHFFFAOYSA-N
XLogP0.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]piperidine-4-carboxamide
CID 90624817
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 90624780
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
1-(3-bromophenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 90624813
1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 90624944
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
(1R)-N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]cyclohex-3-ene-1-carboxamide
CID 100725124
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide (CID 90624993) is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide is O=C(NCC(O)Cn1ccccc1=O)C1CC=CCC1.
What is the InChIKey of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is JVJOJZKXUNHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13(11-17-9-5-4-8-14(17)19)10-16-15(20)12-6-2-1-3-7-12/h1-2,4-5,8-9,12-13,18H,3,6-7,10-11H2,(H,16,20).
What are the key properties of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide?
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 90624993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).