2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid

C12H18N2O2 — CID 63957871

IUPAC2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCCC(C)(C)N(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H18N2O2/c1-5-12(2,3)14(4)10-8-9(11(15)16)6-7-13-10/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyILCBAOGLIWFGPM-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.40
Rot. Bonds4

About 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid

2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 63957871) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID63957871
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCCC(C)(C)N(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H18N2O2/c1-5-12(2,3)14(4)10-8-9(11(15)16)6-7-13-10/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyILCBAOGLIWFGPM-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[4,4-dimethylpentanoyl(methyl)amino]pyridine-4-carboxylic acid
CID 115273457
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
3-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzoic acid
CID 63983852
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[(4-bromophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 55025543
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid (CID 63957871) is 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid is CCC(C)(C)N(C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is ILCBAOGLIWFGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-12(2,3)14(4)10-8-9(11(15)16)6-7-13-10/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 63957871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).