N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide

C15H21N3O2 — CID 124605662

IUPACN'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C15H21N3O2/c1-11-5-2-3-7-13(11)18-15(20)14(19)17-10-12-6-4-8-16-9-12/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3,(H,17,19)(H,18,20)/t11-,13-/m1/s1
InChIKeyDOHRYVFWMWMDRL-DGCLKSJQSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds3

About N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 124605662) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID124605662
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C15H21N3O2/c1-11-5-2-3-7-13(11)18-15(20)14(19)17-10-12-6-4-8-16-9-12/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3,(H,17,19)(H,18,20)/t11-,13-/m1/s1
InChIKeyDOHRYVFWMWMDRL-DGCLKSJQSA-N
XLogP1.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide (CID 124605662) is N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide is C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is DOHRYVFWMWMDRL-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-2-3-7-13(11)18-15(20)14(19)17-10-12-6-4-8-16-9-12/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3,(H,17,19)(H,18,20)/t11-,13-/m1/s1.
What are the key properties of N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 275.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 124605662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).