N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

C13H18BrN3O3 — CID 71856491

IUPACN-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCn1cc(NC(=O)CNC(=O)C(C)(C)C)cc(Br)c1=O
InChIInChI=1S/C13H18BrN3O3/c1-13(2,3)12(20)15-6-10(18)16-8-5-9(14)11(19)17(4)7-8/h5,7H,6H2,1-4H3,(H,15,20)(H,16,18)
InChIKeyPWTRODHWOFETJB-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.25
Rot. Bonds3

About N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 71856491) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID71856491
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC NameN-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCn1cc(NC(=O)CNC(=O)C(C)(C)C)cc(Br)c1=O
InChIInChI=1S/C13H18BrN3O3/c1-13(2,3)12(20)15-6-10(18)16-8-5-9(14)11(19)17(4)7-8/h5,7H,6H2,1-4H3,(H,15,20)(H,16,18)
InChIKeyPWTRODHWOFETJB-UHFFFAOYSA-N
XLogP1.25
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 71856491) is N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is Cn1cc(NC(=O)CNC(=O)C(C)(C)C)cc(Br)c1=O.
What is the InChIKey of N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is PWTRODHWOFETJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-13(2,3)12(20)15-6-10(18)16-8-5-9(14)11(19)17(4)7-8/h5,7H,6H2,1-4H3,(H,15,20)(H,16,18).
What are the key properties of N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 344.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71856491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).