Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate

Name: Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₈N₂O₃ — CID 118212630

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

IUPACmethyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate

SMILESCOC(=O)c1ccnc(Cc2ccc(Cn3ccccc3=O)cc2)c1

InChIInChI=1S/C20H18N2O3/c1-25-20(24)17-9-10-21-18(13-17)12-15-5-7-16(8-6-15)14-22-11-3-2-4-19(22)23/h2-11,13H,12,14H2,1H3

InChIKeyXTSBPQMPVLOOGB-UHFFFAOYSA-N

MW334.38 g/mol

LogP2.67

Rot. Bonds5

About Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate

Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate (PubChem CID 118212630) has the molecular formula C₂₀H₁₈N₂O₃ and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Name	Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate
PubChem CID	118212630
Molecular Formula	C₂₀H₁₈N₂O₃
Molecular Weight	334.38 g/mol
Exact Mass	334.13
IUPAC Name	methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate
SMILES	COC(=O)c1ccnc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChI	InChI=1S/C20H18N2O3/c1-25-20(24)17-9-10-21-18(13-17)12-15-5-7-16(8-6-15)14-22-11-3-2-4-19(22)23/h2-11,13H,12,14H2,1H3
InChIKey	XTSBPQMPVLOOGB-UHFFFAOYSA-N
XLogP	2.67
TPSA	61.19 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate?

The IUPAC name of Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate (CID 118212630) is methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate.

What is the SMILES notation for Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate?

The canonical SMILES for Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate is COC(=O)c1ccnc(Cc2ccc(Cn3ccccc3=O)cc2)c1.

What is the InChIKey of Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate?

The InChIKey is XTSBPQMPVLOOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-25-20(24)17-9-10-21-18(13-17)12-15-5-7-16(8-6-15)14-22-11-3-2-4-19(22)23/h2-11,13H,12,14H2,1H3.

What are the key properties of Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate?

Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 118212630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118212630 — identifiers, structure, computed properties (public domain)

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