N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide

C20H22ClN3O3 — CID 9115069

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c1-13-17(14(2)23-20(26)18(13)12-22)8-9-19(25)24(3)10-11-27-16-6-4-15(21)5-7-16/h4-7H,8-11H2,1-3H3,(H,23,26)
InChIKeyRDDSDNLWAWLGLT-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide

N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide (PubChem CID 9115069) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
PubChem CID9115069
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O3/c1-13-17(14(2)23-20(26)18(13)12-22)8-9-19(25)24(3)10-11-27-16-6-4-15(21)5-7-16/h4-7H,8-11H2,1-3H3,(H,23,26)
InChIKeyRDDSDNLWAWLGLT-UHFFFAOYSA-N
XLogP2.99
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide with MolForge

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 46654987
2-(4-chlorophenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784231
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695558
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
CID 46546542
N-[1-(3-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
CID 55580062
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
2-phenylethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808897
N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 86857878
(2-chlorophenyl) 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808908
N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
CID 78808431
2-butoxyethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 60541223

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide (CID 9115069) is N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
The InChIKey is RDDSDNLWAWLGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-17(14(2)23-20(26)18(13)12-22)8-9-19(25)24(3)10-11-27-16-6-4-15(21)5-7-16/h4-7H,8-11H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide has a molecular weight of 387.87 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 9115069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).