2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid

C14H22N2O2 — CID 113380100

IUPAC2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NC(C)C(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-5-6-12-7-11(14(17)18)8-13(16-12)15-10(4)9(2)3/h7-10H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyUYZRRCMUXSKHRP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.19
Rot. Bonds6

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

2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 113380100) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID113380100
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NC(C)C(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-5-6-12-7-11(14(17)18)8-13(16-12)15-10(4)9(2)3/h7-10H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyUYZRRCMUXSKHRP-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
CID 106287098
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
CID 107645154
2-(ethylamino)-N-propan-2-yl-6-propylpyridine-4-carboxamide
CID 113380930
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid (CID 113380100) is 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NC(C)C(C)C)n1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is UYZRRCMUXSKHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-6-12-7-11(14(17)18)8-13(16-12)15-10(4)9(2)3/h7-10H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid?
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.19, 6 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-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).