ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate

C25H26N2O3 — CID 89474624

IUPACethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(CN2CC(OC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C25H26N2O3/c1-2-29-25(28)23-15-9-14-21(26-23)16-27-17-22(18-27)30-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,22,24H,2,16-18H2,1H3
InChIKeyYFVASEBXJIEBFR-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.25
Rot. Bonds8

About ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate

ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 89474624) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID89474624
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Nameethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(CN2CC(OC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C25H26N2O3/c1-2-29-25(28)23-15-9-14-21(26-23)16-27-17-22(18-27)30-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,22,24H,2,16-18H2,1H3
InChIKeyYFVASEBXJIEBFR-UHFFFAOYSA-N
XLogP4.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474376
6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474909
6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474378
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
ethyl 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-2H-pyrrole-5-carboxylate
CID 161206861
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474891
ethyl 2-[[4-[(3,5-difluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-4-carboxylate
CID 89474717
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 125445677
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
CID 89474416

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate (CID 89474624) is ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(CN2CC(OC(c3ccccc3)c3ccccc3)C2)n1.
What is the InChIKey of ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is YFVASEBXJIEBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-29-25(28)23-15-9-14-21(26-23)16-27-17-22(18-27)30-24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,22,24H,2,16-18H2,1H3.
What are the key properties of ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 89474624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).