N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C22H21ClN2O3 — CID 55759754

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)CCOc3cccc(Cl)c3)c(=O)[nH]2)c1
InChIInChI=1S/C22H21ClN2O3/c1-15-5-3-6-16(13-15)20-10-9-19(21(26)24-20)22(27)25(2)11-12-28-18-8-4-7-17(23)14-18/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)
InChIKeyQYQXLSPQEZBCRT-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55759754) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55759754
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)CCOc3cccc(Cl)c3)c(=O)[nH]2)c1
InChIInChI=1S/C22H21ClN2O3/c1-15-5-3-6-16(13-15)20-10-9-19(21(26)24-20)22(27)25(2)11-12-28-18-8-4-7-17(23)14-18/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)
InChIKeyQYQXLSPQEZBCRT-UHFFFAOYSA-N
XLogP4.15
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55759754) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)N(C)CCOc3cccc(Cl)c3)c(=O)[nH]2)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QYQXLSPQEZBCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-15-5-3-6-16(13-15)20-10-9-19(21(26)24-20)22(27)25(2)11-12-28-18-8-4-7-17(23)14-18/h3-10,13-14H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55759754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).