methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate

C21H20N2O3 — CID 175301664

IUPACmethyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C21H20N2O3/c1-26-21(25)12-19-11-18(13-22-14-19)10-16-5-7-17(8-6-16)15-23-9-3-2-4-20(23)24/h2-9,11,13-14H,10,12,15H2,1H3
InChIKeyZCJZOBLEWQURHQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.60
Rot. Bonds6

About methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate

methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate (PubChem CID 175301664) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
PubChem CID175301664
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namemethyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C21H20N2O3/c1-26-21(25)12-19-11-18(13-22-14-19)10-16-5-7-17(8-6-16)15-23-9-3-2-4-20(23)24/h2-9,11,13-14H,10,12,15H2,1H3
InChIKeyZCJZOBLEWQURHQ-UHFFFAOYSA-N
XLogP2.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881175
tert-butyl N-[[4-[[1-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]ethenylamino]methyl]phenyl]methyl]carbamate
CID 118220509
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213060
methyl 2-[[(3Z)-4-amino-2-imino-3-methylhexa-3,5-dienoyl]amino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 144881428
methyl 2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-4-carboxylate
CID 118212630
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263
methyl 2-[(5-chloro-2H-indazol-3-yl)methylamino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 118212371
methyl 2-[[2-(2-amino-5-chlorophenyl)-2-iminoacetyl]amino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 144880761
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate (CID 175301664) is methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate is COC(=O)Cc1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate?
The InChIKey is ZCJZOBLEWQURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-21(25)12-19-11-18(13-22-14-19)10-16-5-7-17(8-6-16)15-23-9-3-2-4-20(23)24/h2-9,11,13-14H,10,12,15H2,1H3.
What are the key properties of methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate?
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate has a molecular weight of 348.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate is sourced from PubChem (CID 175301664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).