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

C21H25N3O2 — CID 78808431

IUPACN-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
SMILESCCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-4-5-13-24(17-9-7-6-8-10-17)20(25)12-11-18-15(2)19(14-22)21(26)23-16(18)3/h6-10H,4-5,11-13H2,1-3H3,(H,23,26)
InChIKeyLOXLEQKZHVYNKV-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.63
Rot. Bonds7

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

N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide (PubChem CID 78808431) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
PubChem CID78808431
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
SMILESCCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-4-5-13-24(17-9-7-6-8-10-17)20(25)12-11-18-15(2)19(14-22)21(26)23-16(18)3/h6-10H,4-5,11-13H2,1-3H3,(H,23,26)
InChIKeyLOXLEQKZHVYNKV-UHFFFAOYSA-N
XLogP3.63
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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,N-diethylpropanamide
CID 46546542
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695558
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784081
2-butoxyethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 60541223
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,N-dicyclopentylpropanamide
CID 75364447
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784389
(2-chlorophenyl) 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808908
9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784313
N-[1-(3-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
CID 55580062
4-amino-N-butyl-N-phenylpentanamide
CID 64585388

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide?
The IUPAC name of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide (CID 78808431) is N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide.
What is the SMILES notation for N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide?
The canonical SMILES for N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide is CCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1.
What is the InChIKey of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide?
The InChIKey is LOXLEQKZHVYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-5-13-24(17-9-7-6-8-10-17)20(25)12-11-18-15(2)19(14-22)21(26)23-16(18)3/h6-10H,4-5,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide?
N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 78808431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).