N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide

C15H18N4O — CID 113038445

IUPACN-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2ccccc2)nn1
InChIInChI=1S/C15H18N4O/c1-11(2)10-16-13-8-9-14(19-18-13)17-15(20)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyIQNGYWUEECUHFP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.80
Rot. Bonds5

About N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide

N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide (PubChem CID 113038445) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
PubChem CID113038445
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2ccccc2)nn1
InChIInChI=1S/C15H18N4O/c1-11(2)10-16-13-8-9-14(19-18-13)17-15(20)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyIQNGYWUEECUHFP-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038491
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038462
N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113038436
4-methyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044515
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide (CID 113038445) is N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide is CC(C)CNc1ccc(NC(=O)c2ccccc2)nn1.
What is the InChIKey of N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide?
The InChIKey is IQNGYWUEECUHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)10-16-13-8-9-14(19-18-13)17-15(20)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide?
N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113038445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).