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

C16H21N3O2 — CID 22110451

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCC1
InChIInChI=1S/C16H21N3O2/c1-10-13(11(2)18-16(21)14(10)9-17)7-8-15(20)19-12-5-3-4-6-12/h12H,3-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXSNOUUMHNYWRFI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.85
Rot. Bonds4

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide (PubChem CID 22110451) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide
PubChem CID22110451
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCC1
InChIInChI=1S/C16H21N3O2/c1-10-13(11(2)18-16(21)14(10)9-17)7-8-15(20)19-12-5-3-4-6-12/h12H,3-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXSNOUUMHNYWRFI-UHFFFAOYSA-N
XLogP1.85
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cycloheptylpropanamide
CID 4798537
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-sulfanylethyl)propanamide
CID 177679993
5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 16351007
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide
CID 17392187
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide
CID 39965362
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide
CID 51125054
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentyl-N-ethylpropanamide
CID 72053551
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 18105640
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide
CID 55720708
N-(3-amino-2,2-difluoropropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
CID 120412400
N-(3-amino-2,2-difluoropropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 120412401
5-[3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 132304920

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide (CID 22110451) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCCC1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide?
The InChIKey is XSNOUUMHNYWRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-13(11(2)18-16(21)14(10)9-17)7-8-15(20)19-12-5-3-4-6-12/h12H,3-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-cyclopentylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 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-cyclopentylpropanamide is sourced from PubChem (CID 22110451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).