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

C15H24N2O2 — CID 106329999

IUPAC2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NC(C)(CC)CC)n1
InChIInChI=1S/C15H24N2O2/c1-5-8-12-9-11(14(18)19)10-13(16-12)17-15(4,6-2)7-3/h9-10H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPJKUUYVUFLAEFW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.72
Rot. Bonds7

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

2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 106329999) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID106329999
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NC(C)(CC)CC)n1
InChIInChI=1S/C15H24N2O2/c1-5-8-12-9-11(14(18)19)10-13(16-12)17-15(4,6-2)7-3/h9-10H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPJKUUYVUFLAEFW-UHFFFAOYSA-N
XLogP3.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331240
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
CID 106287098
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
CID 107645154
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid (CID 106329999) is 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NC(C)(CC)CC)n1.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is PJKUUYVUFLAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-8-12-9-11(14(18)19)10-13(16-12)17-15(4,6-2)7-3/h9-10H,5-8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid?
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 106329999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).