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

C20H21FN4O3 — CID 134016193

IUPACN-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c1-12-16(13(2)24-20(28)17(12)11-22)7-8-19(27)25(10-9-18(23)26)15-5-3-14(21)4-6-15/h3-6H,7-10H2,1-2H3,(H2,23,26)(H,24,28)
InChIKeyOBFZUOYIPZUION-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.84
Rot. Bonds7

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

N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 134016193) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide
PubChem CID134016193
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c1-12-16(13(2)24-20(28)17(12)11-22)7-8-19(27)25(10-9-18(23)26)15-5-3-14(21)4-6-15/h3-6H,7-10H2,1-2H3,(H2,23,26)(H,24,28)
InChIKeyOBFZUOYIPZUION-UHFFFAOYSA-N
XLogP1.84
TPSA120.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
CID 78808431
[2-(4-fluorophenyl)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784060
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
CID 46546542
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-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 55384780
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 46654987
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 46563604
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide
CID 75364447
N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
CID 9115069
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596424
[2-(3-fluoroanilino)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784175
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784081

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide (CID 134016193) is N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is OBFZUOYIPZUION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-12-16(13(2)24-20(28)17(12)11-22)7-8-19(27)25(10-9-18(23)26)15-5-3-14(21)4-6-15/h3-6H,7-10H2,1-2H3,(H2,23,26)(H,24,28).
What are the key properties of N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide?
N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 384.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 134016193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).