2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid

C16H26N2O3 — CID 106287098

IUPAC2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCC(O)C(CC)CC)n1
InChIInChI=1S/C16H26N2O3/c1-4-7-13-8-12(16(20)21)9-15(18-13)17-10-14(19)11(5-2)6-3/h8-9,11,14,19H,4-7,10H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyGQLFWQNKNHDTOL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.94
Rot. Bonds9

About 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid

2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid (PubChem CID 106287098) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
PubChem CID106287098
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCC(O)C(CC)CC)n1
InChIInChI=1S/C16H26N2O3/c1-4-7-13-8-12(16(20)21)9-15(18-13)17-10-14(19)11(5-2)6-3/h8-9,11,14,19H,4-7,10H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyGQLFWQNKNHDTOL-UHFFFAOYSA-N
XLogP2.94
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
2-(ethylamino)-N-propan-2-yl-6-propylpyridine-4-carboxamide
CID 113380930
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196
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-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-3-ethylpentan-2-ol
CID 106288889

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid (CID 106287098) is 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NCC(O)C(CC)CC)n1.
What is the InChIKey of 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid?
The InChIKey is GQLFWQNKNHDTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-7-13-8-12(16(20)21)9-15(18-13)17-10-14(19)11(5-2)6-3/h8-9,11,14,19H,4-7,10H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid?
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 106287098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).