4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide

C22H24N4O — CID 53098814

IUPAC4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(-c2ccc(NCc3ccccc3)nn2)cc1
InChIInChI=1S/C22H24N4O/c1-3-16(2)24-22(27)19-11-9-18(10-12-19)20-13-14-21(26-25-20)23-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNBURCDGCOYRBHV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.28
Rot. Bonds7

About 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide

4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide (PubChem CID 53098814) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide
PubChem CID53098814
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(-c2ccc(NCc3ccccc3)nn2)cc1
InChIInChI=1S/C22H24N4O/c1-3-16(2)24-22(27)19-11-9-18(10-12-19)20-13-14-21(26-25-20)23-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNBURCDGCOYRBHV-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170

Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide (CID 53098814) is 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(-c2ccc(NCc3ccccc3)nn2)cc1.
What is the InChIKey of 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide?
The InChIKey is NBURCDGCOYRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-16(2)24-22(27)19-11-9-18(10-12-19)20-13-14-21(26-25-20)23-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide?
4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 53098814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).