4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C24H29ClFN3O5 — CID 138505190

IUPAC4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCC(Nc1ncc(C(=O)NCC2CCC(C(=O)O)CC2)cc1Cl)c1cc(F)ccc1OC
InChIInChI=1S/C24H29ClFN3O5/c1-33-13-20(18-10-17(26)7-8-21(18)34-2)29-22-19(25)9-16(12-27-22)23(30)28-11-14-3-5-15(6-4-14)24(31)32/h7-10,12,14-15,20H,3-6,11,13H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)
InChIKeyOPKCCCQUHQBDLI-UHFFFAOYSA-N
MW493.96 g/mol
LogP4.30
Rot. Bonds10

About 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 138505190) has the molecular formula C24H29ClFN3O5 and a molecular weight of 493.96 g/mol. Its IUPAC name is 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID138505190
Molecular FormulaC24H29ClFN3O5
Molecular Weight493.96 g/mol
Exact Mass493.18
IUPAC Name4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOCC(Nc1ncc(C(=O)NCC2CCC(C(=O)O)CC2)cc1Cl)c1cc(F)ccc1OC
InChIInChI=1S/C24H29ClFN3O5/c1-33-13-20(18-10-17(26)7-8-21(18)34-2)29-22-19(25)9-16(12-27-22)23(30)28-11-14-3-5-15(6-4-14)24(31)32/h7-10,12,14-15,20H,3-6,11,13H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)
InChIKeyOPKCCCQUHQBDLI-UHFFFAOYSA-N
XLogP4.30
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[6-[[(1R)-1-(5-chloro-2-methoxyphenyl)-2-methoxyethyl]amino]-5-cyanopyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138505219
4-[[[5-chloro-6-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138517001
4-[[[6-[[(1R)-1-(5-bromo-2-methoxyphenyl)-2-hydroxy-2-methylpropyl]amino]-5-chloropyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138505095
4-[[[6-[[1-(5-bromo-2-methoxyphenyl)-2-hydroxy-2-methylpropyl]amino]-5-chloropyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138505093
4-[[[6-[1-[5-bromo-2-(2-methoxyethoxy)phenyl]ethylamino]-5-chloropyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138505235
4-[[[5-chloro-6-[[(1S)-1-(5-cyano-2-methoxyphenyl)-2,2-dimethylpropyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138517164
4-[[[4-[[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]amino]-3-methylbenzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138505060
4-[[[4-[[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]amino]-3-(trifluoromethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138517098
4-[[[4-[1-(5-chloro-2-methoxyphenyl)ethylamino]-3-ethylbenzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 138505269
methyl 4-[[[5-chloro-6-[[(1S)-1-(5-cyano-2-hydroxyphenyl)ethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 138505234
5-chloro-N-(4-fluoro-2-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62175694
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 138505190) is 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is COCC(Nc1ncc(C(=O)NCC2CCC(C(=O)O)CC2)cc1Cl)c1cc(F)ccc1OC.
What is the InChIKey of 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OPKCCCQUHQBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O5/c1-33-13-20(18-10-17(26)7-8-21(18)34-2)29-22-19(25)9-16(12-27-22)23(30)28-11-14-3-5-15(6-4-14)24(31)32/h7-10,12,14-15,20H,3-6,11,13H2,1-2H3,(H,27,29)(H,28,30)(H,31,32).
What are the key properties of 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 493.96 g/mol, XLogP of 4.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-chloro-6-[[1-(5-fluoro-2-methoxyphenyl)-2-methoxyethyl]amino]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 138505190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).