N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C18H21ClN2O3 — CID 70736567

IUPACN-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCN(Cc1ccccc1Cl)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C18H21ClN2O3/c1-12-10-13(2)20-17(22)16(12)18(23)21(8-9-24-3)11-14-6-4-5-7-15(14)19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyAUFDQSHXMNIDKG-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.93
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70736567) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70736567
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCN(Cc1ccccc1Cl)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C18H21ClN2O3/c1-12-10-13(2)20-17(22)16(12)18(23)21(8-9-24-3)11-14-6-4-5-7-15(14)19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyAUFDQSHXMNIDKG-UHFFFAOYSA-N
XLogP2.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 70736567) is N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is COCCN(Cc1ccccc1Cl)C(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AUFDQSHXMNIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-10-13(2)20-17(22)16(12)18(23)21(8-9-24-3)11-14-6-4-5-7-15(14)19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70736567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).