1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid

C24H30N2O5 — CID 67168913

IUPAC1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ncc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1OCCc1cccc(C)c1
InChIInChI=1S/C24H30N2O5/c1-16-7-10-24(11-8-16,23(28)29)26-21(27)19-14-20(22(30-3)25-15-19)31-12-9-18-6-4-5-17(2)13-18/h4-6,13-16H,7-12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyPXMPLQLKZFDMDO-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.78
Rot. Bonds8

About 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid

1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 67168913) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID67168913
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ncc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1OCCc1cccc(C)c1
InChIInChI=1S/C24H30N2O5/c1-16-7-10-24(11-8-16,23(28)29)26-21(27)19-14-20(22(30-3)25-15-19)31-12-9-18-6-4-5-17(2)13-18/h4-6,13-16H,7-12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyPXMPLQLKZFDMDO-UHFFFAOYSA-N
XLogP3.78
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
1-[[5-[2-(2,5-dimethylphenyl)ethoxy]-6-methoxypyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170323
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
ethyl 1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 67168969
3-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]bicyclo[3.2.1]octane-3-carboxylic acid
CID 171353944
1-[2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-4-methylcyclohexane-1-carboxylic acid
CID 158295505
4,7-difluoro-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076632
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
4-ethyl-1-[[3-[2-(3-methylphenyl)ethoxy]-4-(oxetan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67170579
N-[4-ethyl-1-(hydroxymethoxymethyl)cyclohexyl]-6-methoxy-5-(2-phenylethoxy)pyridine-3-carboxamide
CID 123222042
methyl 4-hydroxy-1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]cycloheptane-1-carboxylate
CID 67170000

Frequently Asked Questions

What is the IUPAC name of 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid (CID 67168913) is 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid is COc1ncc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1OCCc1cccc(C)c1.
What is the InChIKey of 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is PXMPLQLKZFDMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16-7-10-24(11-8-16,23(28)29)26-21(27)19-14-20(22(30-3)25-15-19)31-12-9-18-6-4-5-17(2)13-18/h4-6,13-16H,7-12H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid?
1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 426.51 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-methoxy-5-[2-(3-methylphenyl)ethoxy]pyridine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 67168913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).