3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid

C17H25NO3 — CID 63072753

IUPAC3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
SMILESCC1CCC(C(C)C)C(OCc2cccnc2C(=O)O)C1
InChIInChI=1S/C17H25NO3/c1-11(2)14-7-6-12(3)9-15(14)21-10-13-5-4-8-18-16(13)17(19)20/h4-5,8,11-12,14-15H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyCZSDRVQGMLZCLK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.76
Rot. Bonds5

About 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid

3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid (PubChem CID 63072753) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
PubChem CID63072753
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
SMILESCC1CCC(C(C)C)C(OCc2cccnc2C(=O)O)C1
InChIInChI=1S/C17H25NO3/c1-11(2)14-7-6-12(3)9-15(14)21-10-13-5-4-8-18-16(13)17(19)20/h4-5,8,11-12,14-15H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyCZSDRVQGMLZCLK-UHFFFAOYSA-N
XLogP3.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743106
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
CID 63446048
3-(4-methylpentoxymethyl)pyridine-2-carboxylic acid
CID 55179936
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid
CID 43477221
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
3-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145764

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid (CID 63072753) is 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid is CC1CCC(C(C)C)C(OCc2cccnc2C(=O)O)C1.
What is the InChIKey of 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
The InChIKey is CZSDRVQGMLZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)14-7-6-12(3)9-15(14)21-10-13-5-4-8-18-16(13)17(19)20/h4-5,8,11-12,14-15H,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid?
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63072753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).