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

C21H25N3O4 — CID 46654987

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
SMILESCOc1ccc(OCCN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1
InChIInChI=1S/C21H25N3O4/c1-14-18(15(2)23-21(26)19(14)13-22)9-10-20(25)24(3)11-12-28-17-7-5-16(27-4)6-8-17/h5-8H,9-12H2,1-4H3,(H,23,26)
InChIKeyNLGGFMSQWFBRMH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.34
Rot. Bonds8

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide (PubChem CID 46654987) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
PubChem CID46654987
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
SMILESCOc1ccc(OCCN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1
InChIInChI=1S/C21H25N3O4/c1-14-18(15(2)23-21(26)19(14)13-22)9-10-20(25)24(3)11-12-28-17-7-5-16(27-4)6-8-17/h5-8H,9-12H2,1-4H3,(H,23,26)
InChIKeyNLGGFMSQWFBRMH-UHFFFAOYSA-N
XLogP2.34
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide (CID 46654987) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide is COc1ccc(OCCN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide?
The InChIKey is NLGGFMSQWFBRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-18(15(2)23-21(26)19(14)13-22)9-10-20(25)24(3)11-12-28-17-7-5-16(27-4)6-8-17/h5-8H,9-12H2,1-4H3,(H,23,26).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide has a molecular weight of 383.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 46654987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).