6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid

C25H26ClN3O2 — CID 155134133

IUPAC6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(C3CCCCC3)cc2Cl)ccc1Nc1cccc(C(=O)O)n1
InChIInChI=1S/C25H26ClN3O2/c1-16-14-19(11-13-21(16)28-24-9-5-8-23(29-24)25(30)31)27-22-12-10-18(15-20(22)26)17-6-3-2-4-7-17/h5,8-15,17,27H,2-4,6-7H2,1H3,(H,28,29)(H,30,31)
InChIKeyMIRFFUBVBRSTBV-UHFFFAOYSA-N
MW435.96 g/mol
LogP7.28
Rot. Bonds6

About 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid

6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid (PubChem CID 155134133) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid
PubChem CID155134133
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(C3CCCCC3)cc2Cl)ccc1Nc1cccc(C(=O)O)n1
InChIInChI=1S/C25H26ClN3O2/c1-16-14-19(11-13-21(16)28-24-9-5-8-23(29-24)25(30)31)27-22-12-10-18(15-20(22)26)17-6-3-2-4-7-17/h5,8-15,17,27H,2-4,6-7H2,1H3,(H,28,29)(H,30,31)
InChIKeyMIRFFUBVBRSTBV-UHFFFAOYSA-N
XLogP7.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 57.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(2-chloro-4-cyclohexylanilino)-5-(trifluoromethyl)anilino]pyridine-2-carboxylic acid
CID 155133875
ethyl 6-[4-(2-chloro-4-cyclohexyl-N-methylanilino)-2-methylanilino]pyridine-2-carboxylate
CID 155133985
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
CID 62240911
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
6-[4-[4-[2-(3-bicyclo[3.3.1]nonanyl)ethyl]-2-chloroanilino]anilino]-N,N-dimethylpyridine-2-carboxamide
CID 155134864
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
CID 62254300
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
2-[3-[(2-chloro-4-cyclohexylphenyl)carbamoyl]anilino]-4-[2-[[6-(4-cyclohexyl-N-methylanilino)-4-methyl-3-pyridinyl]amino]-5-cyclopropyloxybenzoyl]oxy-5-cyclopropyloxybenzoic acid
CID 155134110

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid (CID 155134133) is 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid is Cc1cc(Nc2ccc(C3CCCCC3)cc2Cl)ccc1Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid?
The InChIKey is MIRFFUBVBRSTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-16-14-19(11-13-21(16)28-24-9-5-8-23(29-24)25(30)31)27-22-12-10-18(15-20(22)26)17-6-3-2-4-7-17/h5,8-15,17,27H,2-4,6-7H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid?
6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid has a molecular weight of 435.96 g/mol, XLogP of 7.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chloro-4-cyclohexylanilino)-2-methylanilino]pyridine-2-carboxylic acid is sourced from PubChem (CID 155134133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).