6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide

C16H20N4O — CID 109125155

IUPAC6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C16H20N4O/c1-12(2)10-11-17-15-9-8-14(19-20-15)16(21)18-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGSJUSGLHGOOHLL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds6

About 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide

6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109125155) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
PubChem CID109125155
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C16H20N4O/c1-12(2)10-11-17-15-9-8-14(19-20-15)16(21)18-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGSJUSGLHGOOHLL-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide (CID 109125155) is 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is GSJUSGLHGOOHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)10-11-17-15-9-8-14(19-20-15)16(21)18-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide?
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109125155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).