1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide

C15H15BrN2O2 — CID 165416864

IUPAC1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1cc(Br)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H15BrN2O2/c1-17(2)14(19)13-8-12(16)10-18(15(13)20)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyKSRMJGPSSDLBNM-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.36
Rot. Bonds3

About 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide

1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 165416864) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID165416864
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1cc(Br)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H15BrN2O2/c1-17(2)14(19)13-8-12(16)10-18(15(13)20)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyKSRMJGPSSDLBNM-UHFFFAOYSA-N
XLogP2.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide (CID 165416864) is 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide is CN(C)C(=O)c1cc(Br)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is KSRMJGPSSDLBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-17(2)14(19)13-8-12(16)10-18(15(13)20)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide?
1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-N,N-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 165416864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).