methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride

C10H15ClN2O3 — CID 166000008

IUPACmethyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(OCCCN)nc1.Cl
InChIInChI=1S/C10H14N2O3.ClH/c1-14-10(13)8-3-4-9(12-7-8)15-6-2-5-11;/h3-4,7H,2,5-6,11H2,1H3;1H
InChIKeyNSBYJRKMLNXNTO-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.02
Rot. Bonds5

About methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride

methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride (PubChem CID 166000008) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
PubChem CID166000008
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Namemethyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(OCCCN)nc1.Cl
InChIInChI=1S/C10H14N2O3.ClH/c1-14-10(13)8-3-4-9(12-7-8)15-6-2-5-11;/h3-4,7H,2,5-6,11H2,1H3;1H
InChIKeyNSBYJRKMLNXNTO-UHFFFAOYSA-N
XLogP1.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride 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-aminopropyl)pyridine-3-carboxylate
CID 57039015
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
6-butoxypyridine-3-carboxamide
CID 506622
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
1-[6-(2-fluoroethoxy)-3-pyridinyl]ethanone
CID 58629025
methyl 6-(1-aminocyclopropyl)pyridine-3-carboxylate;hydrochloride
CID 67958246
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
CID 91812449

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride (CID 166000008) is methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride is COC(=O)c1ccc(OCCCN)nc1.Cl.
What is the InChIKey of methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride?
The InChIKey is NSBYJRKMLNXNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.ClH/c1-14-10(13)8-3-4-9(12-7-8)15-6-2-5-11;/h3-4,7H,2,5-6,11H2,1H3;1H.
What are the key properties of methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride?
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride has a molecular weight of 246.69 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 166000008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).