methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate

C14H25NO2 — CID 14182297

IUPACmethyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC)CN(CCC)CC1
InChIInChI=1S/C14H25NO2/c1-4-6-7-12-8-10-15(9-5-2)11-13(12)14(16)17-3/h4-11H2,1-3H3
InChIKeyGWOVJLMTOLZMEB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds6

About methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 14182297) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID14182297
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC)CN(CCC)CC1
InChIInChI=1S/C14H25NO2/c1-4-6-7-12-8-10-15(9-5-2)11-13(12)14(16)17-3/h4-11H2,1-3H3
InChIKeyGWOVJLMTOLZMEB-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 14182297) is methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCCCC1=C(C(=O)OC)CN(CCC)CC1.
What is the InChIKey of methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is GWOVJLMTOLZMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-6-7-12-8-10-15(9-5-2)11-13(12)14(16)17-3/h4-11H2,1-3H3.
What are the key properties of methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 14182297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).