2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

C20H21N3O4 — CID 168587281

IUPAC2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H21N3O4/c1-13-9-17(18(10-21)20(25)23-13)14-4-6-15(7-5-14)27-12-19(24)22-11-16-3-2-8-26-16/h4-7,9,16H,2-3,8,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyKQKXHRFZUSOKOE-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.90
Rot. Bonds6

About 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 168587281) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID168587281
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C20H21N3O4/c1-13-9-17(18(10-21)20(25)23-13)14-4-6-15(7-5-14)27-12-19(24)22-11-16-3-2-8-26-16/h4-7,9,16H,2-3,8,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyKQKXHRFZUSOKOE-UHFFFAOYSA-N
XLogP1.90
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-(3-chloro-4-cyanophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 99830322
methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141
2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 27261642
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 168587281) is 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KQKXHRFZUSOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-9-17(18(10-21)20(25)23-13)14-4-6-15(7-5-14)27-12-19(24)22-11-16-3-2-8-26-16/h4-7,9,16H,2-3,8,11-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 168587281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).