2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid

C15H22N2O2 — CID 113380095

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESC=C(C)CN(CC)c1cc(C(=O)O)cc(CCC)n1
InChIInChI=1S/C15H22N2O2/c1-5-7-13-8-12(15(18)19)9-14(16-13)17(6-2)10-11(3)4/h8-9H,3,5-7,10H2,1-2,4H3,(H,18,19)
InChIKeyAWFYDLCDBJUAFW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.13
Rot. Bonds7

About 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid

2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid (PubChem CID 113380095) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
PubChem CID113380095
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
SMILESC=C(C)CN(CC)c1cc(C(=O)O)cc(CCC)n1
InChIInChI=1S/C15H22N2O2/c1-5-7-13-8-12(15(18)19)9-14(16-13)17(6-2)10-11(3)4/h8-9H,3,5-7,10H2,1-2,4H3,(H,18,19)
InChIKeyAWFYDLCDBJUAFW-UHFFFAOYSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380186
2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
CID 43332286
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896
4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine
CID 103817578
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
(E)-3-[6-[ethyl(2-methylprop-2-enyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633096
2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113379579

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid (CID 113380095) is 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid is C=C(C)CN(CC)c1cc(C(=O)O)cc(CCC)n1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid?
The InChIKey is AWFYDLCDBJUAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-7-13-8-12(15(18)19)9-14(16-13)17(6-2)10-11(3)4/h8-9H,3,5-7,10H2,1-2,4H3,(H,18,19).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid?
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).