N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide

C15H18F3N3O3 — CID 95282750

IUPACN-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H18F3N3O3/c1-8-4-2-3-5-10(8)20-13(23)14(24)21-11-6-9(15(16,17)18)7-19-12(11)22/h6-8,10H,2-5H2,1H3,(H,19,22)(H,20,23)(H,21,24)/t8-,10+/m1/s1
InChIKeyXDJXMZJPSMBEGB-SCZZXKLOSA-N
MW345.32 g/mol
LogP2.03
Rot. Bonds2

About N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide

N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide (PubChem CID 95282750) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
PubChem CID95282750
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H18F3N3O3/c1-8-4-2-3-5-10(8)20-13(23)14(24)21-11-6-9(15(16,17)18)7-19-12(11)22/h6-8,10H,2-5H2,1H3,(H,19,22)(H,20,23)(H,21,24)/t8-,10+/m1/s1
InChIKeyXDJXMZJPSMBEGB-SCZZXKLOSA-N
XLogP2.03
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclohexane-1-carboxamide
CID 75512208
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
CID 155950777
2-[(3R)-3-ethylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 96523087
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119112164
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
CID 124605766
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111859176
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 94195543
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
N-(2-methylcyclohexyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500534

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide (CID 95282750) is N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide is C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
The InChIKey is XDJXMZJPSMBEGB-SCZZXKLOSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-8-4-2-3-5-10(8)20-13(23)14(24)21-11-6-9(15(16,17)18)7-19-12(11)22/h6-8,10H,2-5H2,1H3,(H,19,22)(H,20,23)(H,21,24)/t8-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide?
N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide has a molecular weight of 345.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide is sourced from PubChem (CID 95282750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).