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

C16H24N2O2 — CID 64741956

IUPAC2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C16H24N2O2/c1-9-5-6-13(8-10(9)2)18-15-14(16(19)20)11(3)7-12(4)17-15/h7,9-10,13H,5-6,8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyVFXDFOPAUOMZTP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.63
Rot. Bonds3

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

2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 64741956) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID64741956
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C16H24N2O2/c1-9-5-6-13(8-10(9)2)18-15-14(16(19)20)11(3)7-12(4)17-15/h7,9-10,13H,5-6,8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyVFXDFOPAUOMZTP-UHFFFAOYSA-N
XLogP3.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 64741956) is 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is VFXDFOPAUOMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9-5-6-13(8-10(9)2)18-15-14(16(19)20)11(3)7-12(4)17-15/h7,9-10,13H,5-6,8H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 64741956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).