1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid

C25H32N2O5 — CID 67170323

IUPAC1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ncc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1OCCc1cc(C)ccc1C
InChIInChI=1S/C25H32N2O5/c1-16-7-10-25(11-8-16,24(29)30)27-22(28)20-14-21(23(31-4)26-15-20)32-12-9-19-13-17(2)5-6-18(19)3/h5-6,13-16H,7-12H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyYOBACQNDBWRTKE-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.09
Rot. Bonds8

About 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid

1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 67170323) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID67170323
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ncc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1OCCc1cc(C)ccc1C
InChIInChI=1S/C25H32N2O5/c1-16-7-10-25(11-8-16,24(29)30)27-22(28)20-14-21(23(31-4)26-15-20)32-12-9-19-13-17(2)5-6-18(19)3/h5-6,13-16H,7-12H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyYOBACQNDBWRTKE-UHFFFAOYSA-N
XLogP4.09
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-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

1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168913
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
1-[[4-(2-methoxyethoxy)-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170183
1-[[5-[2-(3-chlorophenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-ethylcycloheptane-1-carboxylic acid
CID 123455404
1-[(2,4-dimethylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341465
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341477
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
ethyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 67168969
N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide
CID 123222042
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-(2,5-dimethylphenyl)acetamide
CID 114304371
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid (CID 67170323) is 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid is COc1ncc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1OCCc1cc(C)ccc1C.
What is the InChIKey of 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is YOBACQNDBWRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-16-7-10-25(11-8-16,24(29)30)27-22(28)20-14-21(23(31-4)26-15-20)32-12-9-19-13-17(2)5-6-18(19)3/h5-6,13-16H,7-12H2,1-4H3,(H,27,28)(H,29,30).
What are the key properties of 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 440.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 67170323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).