N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide

C14H20N2O3 — CID 110125585

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1O
InChIInChI=1S/C14H20N2O3/c1-9-6-10(8-15-7-9)14(18)16-11-4-3-5-12(19-2)13(11)17/h6-8,11-13,17H,3-5H2,1-2H3,(H,16,18)/t11-,12-,13-/m1/s1
InChIKeyGLSUANNIJSHLOH-JHJVBQTASA-N
MW264.32 g/mol
LogP1.05
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide (PubChem CID 110125585) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
PubChem CID110125585
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1O
InChIInChI=1S/C14H20N2O3/c1-9-6-10(8-15-7-9)14(18)16-11-4-3-5-12(19-2)13(11)17/h6-8,11-13,17H,3-5H2,1-2H3,(H,16,18)/t11-,12-,13-/m1/s1
InChIKeyGLSUANNIJSHLOH-JHJVBQTASA-N
XLogP1.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
CID 110125986
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide
CID 175896521
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 62086672
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
N-(2-methoxycyclopentyl)-3-methyl-5-sulfamoylbenzamide
CID 65388634
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
CID 110145684
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110125194
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110125512
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide (CID 110125585) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide is CO[C@@H]1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide?
The InChIKey is GLSUANNIJSHLOH-JHJVBQTASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-10(8-15-7-9)14(18)16-11-4-3-5-12(19-2)13(11)17/h6-8,11-13,17H,3-5H2,1-2H3,(H,16,18)/t11-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 110125585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).