(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide

C20H27N3O4 — CID 135106333

IUPAC(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NCCN2N=C(c3ccccc3)CCC2=O)CC[C@@H]1O
InChIInChI=1S/C20H27N3O4/c1-27-18-13-15(7-9-17(18)24)20(26)21-11-12-23-19(25)10-8-16(22-23)14-5-3-2-4-6-14/h2-6,15,17-18,24H,7-13H2,1H3,(H,21,26)/t15-,17+,18-/m1/s1
InChIKeyLJOKDZDCKWSWRK-BPQIPLTHSA-N
MW373.45 g/mol
LogP1.31
Rot. Bonds6

About (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 135106333) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID135106333
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NCCN2N=C(c3ccccc3)CCC2=O)CC[C@@H]1O
InChIInChI=1S/C20H27N3O4/c1-27-18-13-15(7-9-17(18)24)20(26)21-11-12-23-19(25)10-8-16(22-23)14-5-3-2-4-6-14/h2-6,15,17-18,24H,7-13H2,1H3,(H,21,26)/t15-,17+,18-/m1/s1
InChIKeyLJOKDZDCKWSWRK-BPQIPLTHSA-N
XLogP1.31
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-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,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide (CID 135106333) is (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide is CO[C@@H]1C[C@H](C(=O)NCCN2N=C(c3ccccc3)CCC2=O)CC[C@@H]1O.
What is the InChIKey of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is LJOKDZDCKWSWRK-BPQIPLTHSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-27-18-13-15(7-9-17(18)24)20(26)21-11-12-23-19(25)10-8-16(22-23)14-5-3-2-4-6-14/h2-6,15,17-18,24H,7-13H2,1H3,(H,21,26)/t15-,17+,18-/m1/s1.
What are the key properties of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135106333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).