3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid

C15H22N2O4 — CID 138673808

IUPAC3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid
SMILESCC1=C(C(=O)O)NC(C(=O)O)=CC1(C)N1CCCCC1C
InChIInChI=1S/C15H22N2O4/c1-9-6-4-5-7-17(9)15(3)8-11(13(18)19)16-12(10(15)2)14(20)21/h8-9,16H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCLRVHTTWGMZWPJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.55
Rot. Bonds3

About 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid

3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid (PubChem CID 138673808) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid
PubChem CID138673808
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid
SMILESCC1=C(C(=O)O)NC(C(=O)O)=CC1(C)N1CCCCC1C
InChIInChI=1S/C15H22N2O4/c1-9-6-4-5-7-17(9)15(3)8-11(13(18)19)16-12(10(15)2)14(20)21/h8-9,16H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCLRVHTTWGMZWPJ-UHFFFAOYSA-N
XLogP1.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid?
The IUPAC name of 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid (CID 138673808) is 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid is CC1=C(C(=O)O)NC(C(=O)O)=CC1(C)N1CCCCC1C.
What is the InChIKey of 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid?
The InChIKey is CLRVHTTWGMZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9-6-4-5-7-17(9)15(3)8-11(13(18)19)16-12(10(15)2)14(20)21/h8-9,16H,4-7H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid?
3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-(2-methylpiperidin-1-yl)-1H-pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 138673808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).