N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide

C20H18N6O2 — CID 87469853

IUPACN-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide
SMILESCONC(=O)c1ccc(C)c(Nc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C20H18N6O2/c1-13-3-4-15(20(27)25-28-2)11-16(13)23-18-5-6-19-22-12-17(26(19)24-18)14-7-9-21-10-8-14/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyHJWJWQMDCVAKHX-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.13
Rot. Bonds5

About N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide

N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide (PubChem CID 87469853) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide.

Molecular Properties

Compound NameN-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide
PubChem CID87469853
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide
SMILESCONC(=O)c1ccc(C)c(Nc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C20H18N6O2/c1-13-3-4-15(20(27)25-28-2)11-16(13)23-18-5-6-19-22-12-17(26(19)24-18)14-7-9-21-10-8-14/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyHJWJWQMDCVAKHX-UHFFFAOYSA-N
XLogP3.13
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide?
The IUPAC name of N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide (CID 87469853) is N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide.
What is the SMILES notation for N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide?
The canonical SMILES for N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide is CONC(=O)c1ccc(C)c(Nc2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide?
The InChIKey is HJWJWQMDCVAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-3-4-15(20(27)25-28-2)11-16(13)23-18-5-6-19-22-12-17(26(19)24-18)14-7-9-21-10-8-14/h3-12H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide?
N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide is sourced from PubChem (CID 87469853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).