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

C14H22N2O2 — CID 81053454

IUPAC2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)CCC(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O2/c1-9(2)6-7-16(5)12-8-10(3)15-11(4)13(12)14(17)18/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyQONAKYQTCILUTN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.88
Rot. Bonds5

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

2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid (PubChem CID 81053454) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid
PubChem CID81053454
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)CCC(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O2/c1-9(2)6-7-16(5)12-8-10(3)15-11(4)13(12)14(17)18/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyQONAKYQTCILUTN-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carbothioamide
CID 81054614
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036735
2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81075122
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053761
2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053146
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid
CID 81050644
2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid
CID 81037179
4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036947
2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81053226
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81051442
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid (CID 81053454) is 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid is Cc1cc(N(C)CCC(C)C)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid?
The InChIKey is QONAKYQTCILUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)6-7-16(5)12-8-10(3)15-11(4)13(12)14(17)18/h8-9H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid?
2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81053454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).