5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C14H16BrN5O4 — CID 20772917

IUPAC5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]cc(Nc2c(Br)c(=O)n(C)n(C)c2=O)c1=O
InChIInChI=1S/C14H16BrN5O4/c1-18(2)12(22)7-5-16-6-8(11(7)21)17-10-9(15)13(23)19(3)20(4)14(10)24/h5-6,17H,1-4H3,(H,16,21)
InChIKeyAQNMZKFMTCBMNV-UHFFFAOYSA-N
MW398.22 g/mol
LogP-0.02
Rot. Bonds3

About 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide

5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 20772917) has the molecular formula C14H16BrN5O4 and a molecular weight of 398.22 g/mol. Its IUPAC name is 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID20772917
Molecular FormulaC14H16BrN5O4
Molecular Weight398.22 g/mol
Exact Mass397.04
IUPAC Name5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]cc(Nc2c(Br)c(=O)n(C)n(C)c2=O)c1=O
InChIInChI=1S/C14H16BrN5O4/c1-18(2)12(22)7-5-16-6-8(11(7)21)17-10-9(15)13(23)19(3)20(4)14(10)24/h5-6,17H,1-4H3,(H,16,21)
InChIKeyAQNMZKFMTCBMNV-UHFFFAOYSA-N
XLogP-0.02
TPSA109.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 20772917) is 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide is CN(C)C(=O)c1c[nH]cc(Nc2c(Br)c(=O)n(C)n(C)c2=O)c1=O.
What is the InChIKey of 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AQNMZKFMTCBMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O4/c1-18(2)12(22)7-5-16-6-8(11(7)21)17-10-9(15)13(23)19(3)20(4)14(10)24/h5-6,17H,1-4H3,(H,16,21).
What are the key properties of 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 398.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-1,2-dimethyl-3,6-dioxopyridazin-4-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 20772917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).