Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

Name: Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₅NO₃ — CID 135005208

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(OCC)CC1

InChIInChI=1S/C18H25NO3/c1-4-21-17-12-11-16(18(20)22-5-2)14(3)19(17)13-15-9-7-6-8-10-15/h6-10,17H,4-5,11-13H2,1-3H3

InChIKeyDYHMSQXYAXSHHV-UHFFFAOYSA-N

MW303.40 g/mol

LogP3.48

Rot. Bonds6

About Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 135005208) has the molecular formula C₁₈H₂₅NO₃ and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name	Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID	135005208
Molecular Formula	C₁₈H₂₅NO₃
Molecular Weight	303.40 g/mol
Exact Mass	303.18
IUPAC Name	ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILES	CCOC(=O)C1=C(C)N(Cc2ccccc2)C(OCC)CC1
InChI	InChI=1S/C18H25NO3/c1-4-21-17-12-11-16(18(20)22-5-2)14(3)19(17)13-15-9-7-6-8-10-15/h6-10,17H,4-5,11-13H2,1-3H3
InChIKey	DYHMSQXYAXSHHV-UHFFFAOYSA-N
XLogP	3.48
TPSA	38.77 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.40
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?

The IUPAC name of Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 135005208) is ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.

What is the SMILES notation for Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?

The canonical SMILES for Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccccc2)C(OCC)CC1.

What is the InChIKey of Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?

The InChIKey is DYHMSQXYAXSHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-21-17-12-11-16(18(20)22-5-2)14(3)19(17)13-15-9-7-6-8-10-15/h6-10,17H,4-5,11-13H2,1-3H3.

What are the key properties of Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?

Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 1-benzyl-2-ethoxy-6-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 135005208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135005208 — identifiers, structure, computed properties (public domain)

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