N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide

C16H20N4O — CID 109109497

IUPACN-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NC(C)C)nn2)c1
InChIInChI=1S/C16H20N4O/c1-10(2)17-15-6-5-14(19-20-15)16(21)18-13-8-11(3)7-12(4)9-13/h5-10H,1-4H3,(H,17,20)(H,18,21)
InChIKeyZAENGLNQLKBDMY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.17
Rot. Bonds4

About N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide

N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 109109497) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
PubChem CID109109497
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NC(C)C)nn2)c1
InChIInChI=1S/C16H20N4O/c1-10(2)17-15-6-5-14(19-20-15)16(21)18-13-8-11(3)7-12(4)9-13/h5-10H,1-4H3,(H,17,20)(H,18,21)
InChIKeyZAENGLNQLKBDMY-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-(3-fluoro-5-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79047301
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759
6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127745
N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide (CID 109109497) is N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(NC(C)C)nn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is ZAENGLNQLKBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(2)17-15-6-5-14(19-20-15)16(21)18-13-8-11(3)7-12(4)9-13/h5-10H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide?
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).