2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid

C15H22N2O2 — CID 81052989

IUPAC2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCCCCC2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H22N2O2/c1-10-9-13(14(15(18)19)12(3)16-10)17-8-6-4-5-7-11(17)2/h9,11H,4-8H2,1-3H3,(H,18,19)
InChIKeyKTBDMZSXHSXPRM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.17
Rot. Bonds2

About 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid

2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid (PubChem CID 81052989) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
PubChem CID81052989
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCCCCC2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H22N2O2/c1-10-9-13(14(15(18)19)12(3)16-10)17-8-6-4-5-7-11(17)2/h9,11H,4-8H2,1-3H3,(H,18,19)
InChIKeyKTBDMZSXHSXPRM-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid (CID 81052989) is 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid is Cc1cc(N2CCCCCC2C)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid?
The InChIKey is KTBDMZSXHSXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-9-13(14(15(18)19)12(3)16-10)17-8-6-4-5-7-11(17)2/h9,11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylazepan-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81052989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).