N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide

C20H24N4O2 — CID 94193234

IUPACN-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide
SMILESCc1nccc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C)c2)n1
InChIInChI=1S/C20H24N4O2/c1-13-6-3-4-9-17(13)24-20(26)19(25)23-16-8-5-7-15(12-16)18-10-11-21-14(2)22-18/h5,7-8,10-13,17H,3-4,6,9H2,1-2H3,(H,23,25)(H,24,26)/t13-,17+/m0/s1
InChIKeyZESWDYGTSWCUCQ-SUMWQHHRSA-N
MW352.44 g/mol
LogP3.09
Rot. Bonds3

About N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide

N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide (PubChem CID 94193234) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide
PubChem CID94193234
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide
SMILESCc1nccc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C)c2)n1
InChIInChI=1S/C20H24N4O2/c1-13-6-3-4-9-17(13)24-20(26)19(25)23-16-8-5-7-15(12-16)18-10-11-21-14(2)22-18/h5,7-8,10-13,17H,3-4,6,9H2,1-2H3,(H,23,25)(H,24,26)/t13-,17+/m0/s1
InChIKeyZESWDYGTSWCUCQ-SUMWQHHRSA-N
XLogP3.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280482
9-amino-N-[3-(2-methylpyrimidin-4-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985661
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39027087
1-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 95302837
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
1-(3-cyclohexyloxypropyl)-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 118764919
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028264

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide (CID 94193234) is N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide is Cc1nccc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C)c2)n1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide?
The InChIKey is ZESWDYGTSWCUCQ-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-6-3-4-9-17(13)24-20(26)19(25)23-16-8-5-7-15(12-16)18-10-11-21-14(2)22-18/h5,7-8,10-13,17H,3-4,6,9H2,1-2H3,(H,23,25)(H,24,26)/t13-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide?
N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide has a molecular weight of 352.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide is sourced from PubChem (CID 94193234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).