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

C20H23N3O2S — CID 46563213

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-14-17(15(2)23-20(25)18(14)13-21)9-10-19(24)22-11-6-12-26-16-7-4-3-5-8-16/h3-5,7-8H,6,9-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFUZGKHGVJXUGJE-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.09
Rot. Bonds8

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 46563213) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID46563213
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-14-17(15(2)23-20(25)18(14)13-21)9-10-19(24)22-11-6-12-26-16-7-4-3-5-8-16/h3-5,7-8H,6,9-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFUZGKHGVJXUGJE-UHFFFAOYSA-N
XLogP3.09
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 42150557
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17489606
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 46461753
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55621619
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
CID 78808431
2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55466374
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336
(2-chlorophenyl) 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808908
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide (CID 46563213) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1ccccc1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is FUZGKHGVJXUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-17(15(2)23-20(25)18(14)13-21)9-10-19(24)22-11-6-12-26-16-7-4-3-5-8-16/h3-5,7-8H,6,9-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 369.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 46563213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).