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

C15H21N3O2 — CID 124605707

IUPACN'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C15H21N3O2/c1-11-6-2-3-8-13(11)18-15(20)14(19)17-10-12-7-4-5-9-16-12/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,17,19)(H,18,20)/t11-,13-/m0/s1
InChIKeyHQRBLNLTQLGQRR-AAEUAGOBSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds3

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

N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 124605707) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID124605707
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C15H21N3O2/c1-11-6-2-3-8-13(11)18-15(20)14(19)17-10-12-7-4-5-9-16-12/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,17,19)(H,18,20)/t11-,13-/m0/s1
InChIKeyHQRBLNLTQLGQRR-AAEUAGOBSA-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'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
CID 108518943
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058890
N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide
CID 166209499
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide (CID 124605707) is N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide is C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is HQRBLNLTQLGQRR-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-2-3-8-13(11)18-15(20)14(19)17-10-12-7-4-5-9-16-12/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,17,19)(H,18,20)/t11-,13-/m0/s1.
What are the key properties of N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide?
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-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'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 124605707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).