4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid

C14H22N2O2 — CID 61004727

IUPAC4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCCC(C)N(C)c1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-6-7-11(4)16(5)13-12(14(17)18)9(2)8-10(3)15-13/h8,11H,6-7H2,1-5H3,(H,17,18)
InChIKeyJVNSJIDLGMZLPW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.02
Rot. Bonds5

About 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid

4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 61004727) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID61004727
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCCC(C)N(C)c1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-6-7-11(4)16(5)13-12(14(17)18)9(2)8-10(3)15-13/h8,11H,6-7H2,1-5H3,(H,17,18)
InChIKeyJVNSJIDLGMZLPW-UHFFFAOYSA-N
XLogP3.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
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-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid (CID 61004727) is 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid is CCCC(C)N(C)c1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is JVNSJIDLGMZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-7-11(4)16(5)13-12(14(17)18)9(2)8-10(3)15-13/h8,11H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[methyl(pentan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61004727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).