2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid

C14H22N2O2 — CID 113380101

IUPAC2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC(C)C(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-8(2)10(5)15-13-7-11(14(17)18)6-12(16-13)9(3)4/h6-10H,1-5H3,(H,15,16)(H,17,18)
InChIKeyVBKDENQCLICLOH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid

2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 113380101) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID113380101
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC(C)C(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-8(2)10(5)15-13-7-11(14(17)18)6-12(16-13)9(3)4/h6-10H,1-5H3,(H,15,16)(H,17,18)
InChIKeyVBKDENQCLICLOH-UHFFFAOYSA-N
XLogP3.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380308
2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113485557
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 104828594
2-propan-2-yl-6-(2-prop-2-enylsulfanylethylamino)pyridine-4-carboxylic acid
CID 106429356
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 106034851
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid (CID 113380101) is 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(NC(C)C(C)C)n1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is VBKDENQCLICLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(2)10(5)15-13-7-11(14(17)18)6-12(16-13)9(3)4/h6-10H,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid?
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).