4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

C21H24N2O4 — CID 120674408

IUPAC4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(Oc2ncccc2NC(=O)C2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C21H24N2O4/c1-13-5-3-7-18(14(13)2)27-20-17(6-4-12-22-20)23-19(24)15-8-10-16(11-9-15)21(25)26/h3-7,12,15-16H,8-11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUQJLVHSDBWWLBF-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.32
Rot. Bonds5

About 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674408) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674408
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(Oc2ncccc2NC(=O)C2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C21H24N2O4/c1-13-5-3-7-18(14(13)2)27-20-17(6-4-12-22-20)23-19(24)15-8-10-16(11-9-15)21(25)26/h3-7,12,15-16H,8-11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyUQJLVHSDBWWLBF-UHFFFAOYSA-N
XLogP4.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 97007270
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94629453
2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
CID 119848997
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51123858
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 20629387
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120674408) is 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1cccc(Oc2ncccc2NC(=O)C2CCC(C(=O)O)CC2)c1C.
What is the InChIKey of 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UQJLVHSDBWWLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-5-3-7-18(14(13)2)27-20-17(6-4-12-22-20)23-19(24)15-8-10-16(11-9-15)21(25)26/h3-7,12,15-16H,8-11H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).