4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile

C21H17ClN2O2 — CID 67659151

IUPAC4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(CCc2cc(Cl)ccc2OCc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C21H17ClN2O2/c22-18-8-9-20(26-14-15-4-2-1-3-5-15)17(12-18)7-6-16-10-11-24-21(25)19(16)13-23/h1-5,8-12H,6-7,14H2,(H,24,25)
InChIKeyPEWNSVXBZXRFOE-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.26
Rot. Bonds6

About 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 67659151) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID67659151
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(CCc2cc(Cl)ccc2OCc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C21H17ClN2O2/c22-18-8-9-20(26-14-15-4-2-1-3-5-15)17(12-18)7-6-16-10-11-24-21(25)19(16)13-23/h1-5,8-12H,6-7,14H2,(H,24,25)
InChIKeyPEWNSVXBZXRFOE-UHFFFAOYSA-N
XLogP4.26
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]benzonitrile
CID 67658901
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
CID 59786319
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
tert-butyl 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate
CID 23209941
tert-butyl 4-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate
CID 67659574
6-[5-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]tetrazol-2-yl]-1H-pyridin-2-one
CID 54309672
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
6-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1-(tetrazol-2-yl)pyridin-2-one
CID 70346283

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 67659151) is 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(CCc2cc(Cl)ccc2OCc2ccccc2)cc[nH]c1=O.
What is the InChIKey of 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PEWNSVXBZXRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-8-9-20(26-14-15-4-2-1-3-5-15)17(12-18)7-6-16-10-11-24-21(25)19(16)13-23/h1-5,8-12H,6-7,14H2,(H,24,25).
What are the key properties of 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 364.83 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 67659151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).