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

C15H22N2O2 — CID 63626870

IUPAC4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CCCC(C)CC2)n1
InChIInChI=1S/C15H22N2O2/c1-10-5-4-7-17(8-6-10)14-13(15(18)19)11(2)9-12(3)16-14/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyDYWDSPDDKKJMEW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.02
Rot. Bonds2

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

4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid (PubChem CID 63626870) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid
PubChem CID63626870
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(N2CCCC(C)CC2)n1
InChIInChI=1S/C15H22N2O2/c1-10-5-4-7-17(8-6-10)14-13(15(18)19)11(2)9-12(3)16-14/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyDYWDSPDDKKJMEW-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid (CID 63626870) is 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(N2CCCC(C)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid?
The InChIKey is DYWDSPDDKKJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-4-7-17(8-6-10)14-13(15(18)19)11(2)9-12(3)16-14/h9-10H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylazepan-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63626870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).