4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C14H17F3N2O2 — CID 66330615

IUPAC4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2cc(C(F)(F)F)ccn2)(C(=O)O)CC1
InChIInChI=1S/C14H17F3N2O2/c1-9-2-5-13(6-3-9,12(20)21)19-11-8-10(4-7-18-11)14(15,16)17/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyVJTDGVCSJMKLME-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.55
Rot. Bonds3

About 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 66330615) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID66330615
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2cc(C(F)(F)F)ccn2)(C(=O)O)CC1
InChIInChI=1S/C14H17F3N2O2/c1-9-2-5-13(6-3-9,12(20)21)19-11-8-10(4-7-18-11)14(15,16)17/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyVJTDGVCSJMKLME-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 61341954
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289753
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexane-1-carboxylic acid
CID 114449330
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
(3aS,6aR)-2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122089433
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 99819991
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
1-[(6-cyano-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 64587354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 66330615) is 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is CC1CCC(Nc2cc(C(F)(F)F)ccn2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is VJTDGVCSJMKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-2-5-13(6-3-9,12(20)21)19-11-8-10(4-7-18-11)14(15,16)17/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66330615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).