2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid

C14H20N2O3 — CID 114093951

IUPAC2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC2CCCCC2O)n1
InChIInChI=1S/C14H20N2O3/c1-8-7-9(2)15-13(12(8)14(18)19)16-10-5-3-4-6-11(10)17/h7,10-11,17H,3-6H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyRXYIFJOGCRCMLB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 114093951) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID114093951
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC2CCCCC2O)n1
InChIInChI=1S/C14H20N2O3/c1-8-7-9(2)15-13(12(8)14(18)19)16-10-5-3-4-6-11(10)17/h7,10-11,17H,3-6H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyRXYIFJOGCRCMLB-UHFFFAOYSA-N
XLogP2.11
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55027428
2-(cyclobutylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 62414994
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61004045
2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 64741956
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63539189
2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 43598857
4,6-dimethyl-2-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 80585482
2-[(1,1-dioxothiolan-2-yl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 81040091
2-cycloheptylsulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 82925766
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 114093951) is 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is RXYIFJOGCRCMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-7-9(2)15-13(12(8)14(18)19)16-10-5-3-4-6-11(10)17/h7,10-11,17H,3-6H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 114093951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).