N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C22H24N4O2 — CID 55784472

IUPACN-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cn1
InChIInChI=1S/C22H24N4O2/c1-4-26(5-2)20-12-9-17(14-23-20)24-21(27)18-10-11-19(25-22(18)28)16-8-6-7-15(3)13-16/h6-14H,4-5H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZEMGXIUGBTZQPZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.84
Rot. Bonds6

About N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55784472) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55784472
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cn1
InChIInChI=1S/C22H24N4O2/c1-4-26(5-2)20-12-9-17(14-23-20)24-21(27)18-10-11-19(25-22(18)28)16-8-6-7-15(3)13-16/h6-14H,4-5H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZEMGXIUGBTZQPZ-UHFFFAOYSA-N
XLogP3.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55784472) is N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZEMGXIUGBTZQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(5-2)20-12-9-17(14-23-20)24-21(27)18-10-11-19(25-22(18)28)16-8-6-7-15(3)13-16/h6-14H,4-5H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55784472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).