2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

C20H25N3O3 — CID 142490001

IUPAC2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2C(c3ccc(C)nc3)CCC(C)C2O)cn1
InChIInChI=1S/C20H25N3O3/c1-12-4-8-16(14-6-5-13(2)21-10-14)18(19(12)24)20(25)23-15-7-9-17(26-3)22-11-15/h5-7,9-12,16,18-19,24H,4,8H2,1-3H3,(H,23,25)
InChIKeySVRGHTLIJBGCCW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.92
Rot. Bonds4

About 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 142490001) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID142490001
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2C(c3ccc(C)nc3)CCC(C)C2O)cn1
InChIInChI=1S/C20H25N3O3/c1-12-4-8-16(14-6-5-13(2)21-10-14)18(19(12)24)20(25)23-15-7-9-17(26-3)22-11-15/h5-7,9-12,16,18-19,24H,4,8H2,1-3H3,(H,23,25)
InChIKeySVRGHTLIJBGCCW-UHFFFAOYSA-N
XLogP2.92
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 162353607
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
CID 129244238
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
(1S,5R,6R,7S)-N-(6-methoxy-3-pyridinyl)-3-methyl-7-pyridin-4-yl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide;molecular hydrogen
CID 142490052
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070
(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27009996

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (CID 142490001) is 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2C(c3ccc(C)nc3)CCC(C)C2O)cn1.
What is the InChIKey of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is SVRGHTLIJBGCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-4-8-16(14-6-5-13(2)21-10-14)18(19(12)24)20(25)23-15-7-9-17(26-3)22-11-15/h5-7,9-12,16,18-19,24H,4,8H2,1-3H3,(H,23,25).
What are the key properties of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-methyl-6-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 142490001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).