(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C17H21N3O4 — CID 129477988

IUPAC(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ncccc1O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c21-14-6-3-7-18-15(14)19-16(22)12-4-1-2-5-13(12)17(23)20-8-10-24-11-9-20/h1-3,6-7,12-13,21H,4-5,8-11H2,(H,18,19,22)/t12-,13+/m1/s1
InChIKeyYITMWCPNAGANQF-OLZOCXBDSA-N
MW331.37 g/mol
LogP1.17
Rot. Bonds3

About (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 129477988) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID129477988
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ncccc1O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c21-14-6-3-7-18-15(14)19-16(22)12-4-1-2-5-13(12)17(23)20-8-10-24-11-9-20/h1-3,6-7,12-13,21H,4-5,8-11H2,(H,18,19,22)/t12-,13+/m1/s1
InChIKeyYITMWCPNAGANQF-OLZOCXBDSA-N
XLogP1.17
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 129477988) is (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ncccc1O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is YITMWCPNAGANQF-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-14-6-3-7-18-15(14)19-16(22)12-4-1-2-5-13(12)17(23)20-8-10-24-11-9-20/h1-3,6-7,12-13,21H,4-5,8-11H2,(H,18,19,22)/t12-,13+/m1/s1.
What are the key properties of (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 129477988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).