2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C20H22N2O3 — CID 167823229

IUPAC2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2cccc(-c3ccccc3)n2)CCCCC1C(=O)O
InChIInChI=1S/C20H22N2O3/c1-20(13-6-5-10-15(20)19(24)25)22-18(23)17-12-7-11-16(21-17)14-8-3-2-4-9-14/h2-4,7-9,11-12,15H,5-6,10,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDFKGYEKDFDTGRK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.51
Rot. Bonds4

About 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 167823229) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID167823229
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2cccc(-c3ccccc3)n2)CCCCC1C(=O)O
InChIInChI=1S/C20H22N2O3/c1-20(13-6-5-10-15(20)19(24)25)22-18(23)17-12-7-11-16(21-17)14-8-3-2-4-9-14/h2-4,7-9,11-12,15H,5-6,10,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDFKGYEKDFDTGRK-UHFFFAOYSA-N
XLogP3.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 166317364
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545169
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545686
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120546388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 167823229) is 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1(NC(=O)c2cccc(-c3ccccc3)n2)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DFKGYEKDFDTGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(13-6-5-10-15(20)19(24)25)22-18(23)17-12-7-11-16(21-17)14-8-3-2-4-9-14/h2-4,7-9,11-12,15H,5-6,10,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167823229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).