5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide

C17H19Cl2N3O2 — CID 1486010

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-21(2)8-7-20-16(23)15-9-14(19)11-22(17(15)24)10-12-3-5-13(18)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)
InChIKeyVVNTVNOXFHWOOH-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.49
Rot. Bonds6

About 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide

5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 1486010) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID1486010
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H19Cl2N3O2/c1-21(2)8-7-20-16(23)15-9-14(19)11-22(17(15)24)10-12-3-5-13(18)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23)
InChIKeyVVNTVNOXFHWOOH-UHFFFAOYSA-N
XLogP2.49
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
CID 10620409
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 1482990
3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4597377
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 69345221
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 3766196
2-chloro-N-[2-(dimethylamino)ethyl]-3,4-dihydroxybenzamide
CID 142493989
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide (CID 1486010) is 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide is CN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VVNTVNOXFHWOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-21(2)8-7-20-16(23)15-9-14(19)11-22(17(15)24)10-12-3-5-13(18)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,23).
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 1486010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).