3-(dimethylamino)propyl pyridine-3-carboxylate

C11H16N2O2 — CID 141402583

IUPAC3-(dimethylamino)propyl pyridine-3-carboxylate
SMILESCN(C)CCCOC(=O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-13(2)7-4-8-15-11(14)10-5-3-6-12-9-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyDSQZMGWLOBYLKA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.19
Rot. Bonds5

About 3-(dimethylamino)propyl pyridine-3-carboxylate

3-(dimethylamino)propyl pyridine-3-carboxylate (PubChem CID 141402583) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(dimethylamino)propyl pyridine-3-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)propyl pyridine-3-carboxylate
PubChem CID141402583
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(dimethylamino)propyl pyridine-3-carboxylate
SMILESCN(C)CCCOC(=O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-13(2)7-4-8-15-11(14)10-5-3-6-12-9-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyDSQZMGWLOBYLKA-UHFFFAOYSA-N
XLogP1.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl pyridine-3-carboxylate
CID 531638
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
3-(dimethylamino)propyl 3-aminobenzoate
CID 114526412
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
3-(dimethylamino)propyl 3-methoxybenzoate;hydrochloride
CID 2913040
[(E)-hexadec-9-enyl] pyridine-3-carboxylate
CID 91712082
dodec-9-ynyl pyridine-3-carboxylate
CID 531745
(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
CID 146343265
2-oxopropyl pyridine-3-carboxylate
CID 69192363
8-(3-methoxycarbonylphenoxy)octyl pyridine-3-carboxylate
CID 11531112
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
8-(2-nitrophenoxy)octyl pyridine-3-carboxylate
CID 11624923

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl pyridine-3-carboxylate?
The IUPAC name of 3-(dimethylamino)propyl pyridine-3-carboxylate (CID 141402583) is 3-(dimethylamino)propyl pyridine-3-carboxylate.
What is the SMILES notation for 3-(dimethylamino)propyl pyridine-3-carboxylate?
The canonical SMILES for 3-(dimethylamino)propyl pyridine-3-carboxylate is CN(C)CCCOC(=O)c1cccnc1.
What is the InChIKey of 3-(dimethylamino)propyl pyridine-3-carboxylate?
The InChIKey is DSQZMGWLOBYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)7-4-8-15-11(14)10-5-3-6-12-9-10/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 3-(dimethylamino)propyl pyridine-3-carboxylate?
3-(dimethylamino)propyl pyridine-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl pyridine-3-carboxylate is sourced from PubChem (CID 141402583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).