methyl 6-(3-aminopropyl)pyridine-3-carboxylate

C10H14N2O2 — CID 57039015

IUPACmethyl 6-(3-aminopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CCCN)nc1
InChIInChI=1S/C10H14N2O2/c1-14-10(13)8-4-5-9(12-7-8)3-2-6-11/h4-5,7H,2-3,6,11H2,1H3
InChIKeyZJPXLDHJNKRQRA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.76
Rot. Bonds4

About methyl 6-(3-aminopropyl)pyridine-3-carboxylate

methyl 6-(3-aminopropyl)pyridine-3-carboxylate (PubChem CID 57039015) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 6-(3-aminopropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-aminopropyl)pyridine-3-carboxylate
PubChem CID57039015
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 6-(3-aminopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CCCN)nc1
InChIInChI=1S/C10H14N2O2/c1-14-10(13)8-4-5-9(12-7-8)3-2-6-11/h4-5,7H,2-3,6,11H2,1H3
InChIKeyZJPXLDHJNKRQRA-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(3-aminopropyl)pyridine-3-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

methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
CID 107200733
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-(3-methylbutan-2-ylsulfanylmethyl)pyridine-3-carboxylate
CID 107746223
tert-butyl 6-(4-hydroxybutyl)pyridine-3-carboxylate
CID 135261986
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-aminopropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3-aminopropyl)pyridine-3-carboxylate (CID 57039015) is methyl 6-(3-aminopropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-aminopropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3-aminopropyl)pyridine-3-carboxylate is COC(=O)c1ccc(CCCN)nc1.
What is the InChIKey of methyl 6-(3-aminopropyl)pyridine-3-carboxylate?
The InChIKey is ZJPXLDHJNKRQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-10(13)8-4-5-9(12-7-8)3-2-6-11/h4-5,7H,2-3,6,11H2,1H3.
What are the key properties of methyl 6-(3-aminopropyl)pyridine-3-carboxylate?
methyl 6-(3-aminopropyl)pyridine-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-aminopropyl)pyridine-3-carboxylate is sourced from PubChem (CID 57039015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).