N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide

C16H23N3O2 — CID 125145010

IUPACN'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H23N3O2/c1-12-6-2-3-8-14(12)19-16(21)15(20)18-11-9-13-7-4-5-10-17-13/h4-5,7,10,12,14H,2-3,6,8-9,11H2,1H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
InChIKeyAPFPZDWYMGVCAI-GXTWGEPZSA-N
MW289.38 g/mol
LogP1.44
Rot. Bonds4

About N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide

N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide (PubChem CID 125145010) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
PubChem CID125145010
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C16H23N3O2/c1-12-6-2-3-8-14(12)19-16(21)15(20)18-11-9-13-7-4-5-10-17-13/h4-5,7,10,12,14H,2-3,6,8-9,11H2,1H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
InChIKeyAPFPZDWYMGVCAI-GXTWGEPZSA-N
XLogP1.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.44
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'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1S,2R)-2-methylcyclohexyl]oxamide
CID 40720382

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide (CID 125145010) is N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide is C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1ccccn1.
What is the InChIKey of N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is APFPZDWYMGVCAI-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-2-3-8-14(12)19-16(21)15(20)18-11-9-13-7-4-5-10-17-13/h4-5,7,10,12,14H,2-3,6,8-9,11H2,1H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide?
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 289.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 125145010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).