N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H19N3O2 — CID 95976762

IUPACN-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O2/c1-4-21(13(3)15-8-6-14(11-19)7-9-15)18(23)16-10-5-12(2)20-17(16)22/h5-10,13H,4H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyCLBNAGBVIUAGCY-ZDUSSCGKSA-N
MW309.37 g/mol
LogP2.78
Rot. Bonds4

About N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976762) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976762
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O2/c1-4-21(13(3)15-8-6-14(11-19)7-9-15)18(23)16-10-5-12(2)20-17(16)22/h5-10,13H,4H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyCLBNAGBVIUAGCY-ZDUSSCGKSA-N
XLogP2.78
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethyl-5-methylsulfanylbenzamide
CID 55592511
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CID 55593120
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide
CID 55593022
1-[1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 47050200
N-[1-(4-cyanophenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 55593027
N-[1-(4-cyanophenyl)ethyl]-N-ethyl-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55592196
3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide
CID 55591996
N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 75807703
2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
CID 42953959
6-methyl-3-pentanoyl-1H-pyridin-2-one
CID 121217099
4-(3-oxopentan-2-yl)benzonitrile
CID 137429446

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95976762) is N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CLBNAGBVIUAGCY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-21(13(3)15-8-6-14(11-19)7-9-15)18(23)16-10-5-12(2)20-17(16)22/h5-10,13H,4H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).