6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

C19H26N4O — CID 109125585

IUPAC6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O/c1-5-6-13-23(4)18-12-11-17(21-22-18)19(24)20-16-9-7-15(8-10-16)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,24)
InChIKeyVPPPLPPLBUSVMM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.09
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide

6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109125585) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109125585
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O/c1-5-6-13-23(4)18-12-11-17(21-22-18)19(24)20-16-9-7-15(8-10-16)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,24)
InChIKeyVPPPLPPLBUSVMM-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370
6-(diethylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124305
6-[butyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109125613
6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109125639
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126163
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
6-[2-ethoxyethyl(methyl)amino]-N-phenylpyridazine-3-carboxamide
CID 133445922
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109125585) is 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is VPPPLPPLBUSVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-13-23(4)18-12-11-17(21-22-18)19(24)20-16-9-7-15(8-10-16)14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,20,24).
What are the key properties of 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).