1-aminobutyl pyridine-2-carboxylate

C10H14N2O2 — CID 174954272

IUPAC1-aminobutyl pyridine-2-carboxylate
SMILESCCCC(N)OC(=O)c1ccccn1
InChIInChI=1S/C10H14N2O2/c1-2-5-9(11)14-10(13)8-6-3-4-7-12-8/h3-4,6-7,9H,2,5,11H2,1H3
InChIKeyYJPAXMRONCJRMI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds4

About 1-aminobutyl pyridine-2-carboxylate

1-aminobutyl pyridine-2-carboxylate (PubChem CID 174954272) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-aminobutyl pyridine-2-carboxylate.

Molecular Properties

Compound Name1-aminobutyl pyridine-2-carboxylate
PubChem CID174954272
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-aminobutyl pyridine-2-carboxylate
SMILESCCCC(N)OC(=O)c1ccccn1
InChIInChI=1S/C10H14N2O2/c1-2-5-9(11)14-10(13)8-6-3-4-7-12-8/h3-4,6-7,9H,2,5,11H2,1H3
InChIKeyYJPAXMRONCJRMI-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminobutyl pyridine-2-carboxylate 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

1-aminoethyl pyridine-2-carboxylate
CID 141264689
2-methylpentyl pyridine-2-carboxylate
CID 150671770
ethyl pyridine-2-carboxylate
CID 17307
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
4-tri(propan-2-yl)silyloxybutan-2-yl pyridine-2-carboxylate
CID 100987019
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
CID 174448756
diethyl 2-(2-pyridin-2-ylprop-2-enoyl)propanedioate
CID 89130402
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7776044
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
3-dimethoxysilylbutyl pyridine-2-carboxylate
CID 154185304

Frequently Asked Questions

What is the IUPAC name of 1-aminobutyl pyridine-2-carboxylate?
The IUPAC name of 1-aminobutyl pyridine-2-carboxylate (CID 174954272) is 1-aminobutyl pyridine-2-carboxylate.
What is the SMILES notation for 1-aminobutyl pyridine-2-carboxylate?
The canonical SMILES for 1-aminobutyl pyridine-2-carboxylate is CCCC(N)OC(=O)c1ccccn1.
What is the InChIKey of 1-aminobutyl pyridine-2-carboxylate?
The InChIKey is YJPAXMRONCJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-5-9(11)14-10(13)8-6-3-4-7-12-8/h3-4,6-7,9H,2,5,11H2,1H3.
What are the key properties of 1-aminobutyl pyridine-2-carboxylate?
1-aminobutyl pyridine-2-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutyl pyridine-2-carboxylate is sourced from PubChem (CID 174954272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).