3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide

C21H29N3O2 — CID 75364447

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C21H29N3O2/c1-14-18(15(2)23-21(26)19(14)13-22)11-12-20(25)24(16-7-3-4-8-16)17-9-5-6-10-17/h16-17H,3-12H2,1-2H3,(H,23,26)
InChIKeyZJIJFVSTHHFPRK-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.51
Rot. Bonds5

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide (PubChem CID 75364447) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide
PubChem CID75364447
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C21H29N3O2/c1-14-18(15(2)23-21(26)19(14)13-22)11-12-20(25)24(16-7-3-4-8-16)17-9-5-6-10-17/h16-17H,3-12H2,1-2H3,(H,23,26)
InChIKeyZJIJFVSTHHFPRK-UHFFFAOYSA-N
XLogP3.51
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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,N-dicyclopentylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide (CID 75364447) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide?
The InChIKey is ZJIJFVSTHHFPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14-18(15(2)23-21(26)19(14)13-22)11-12-20(25)24(16-7-3-4-8-16)17-9-5-6-10-17/h16-17H,3-12H2,1-2H3,(H,23,26).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide has a molecular weight of 355.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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,N-dicyclopentylpropanamide is sourced from PubChem (CID 75364447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).