N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

C17H20N2O2 — CID 103717530

IUPACN,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2c[nH]c(C)cc2=O)cc1
InChIInChI=1S/C17H20N2O2/c1-11-5-7-14(8-6-11)13(3)19(4)17(21)15-10-18-12(2)9-16(15)20/h5-10,13H,1-4H3,(H,18,20)
InChIKeyMGNZGNQQPMKZLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.82
Rot. Bonds3

About N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717530) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717530
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2c[nH]c(C)cc2=O)cc1
InChIInChI=1S/C17H20N2O2/c1-11-5-7-14(8-6-11)13(3)19(4)17(21)15-10-18-12(2)9-16(15)20/h5-10,13H,1-4H3,(H,18,20)
InChIKeyMGNZGNQQPMKZLN-UHFFFAOYSA-N
XLogP2.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,6-dimethyl-N-(4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103716728
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 63997006
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
N,6-dimethyl-4-oxo-N-(trimethylsilylmethyl)-1H-pyridine-3-carboxamide
CID 154765821
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103918750
N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976164
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
CID 107982449
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103717530) is N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2c[nH]c(C)cc2=O)cc1.
What is the InChIKey of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MGNZGNQQPMKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-5-7-14(8-6-11)13(3)19(4)17(21)15-10-18-12(2)9-16(15)20/h5-10,13H,1-4H3,(H,18,20).
What are the key properties of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).