6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide

C17H28N4O — CID 166045215

IUPAC6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)CC1CCN(c2ccc(C(=O)NC(C)C)nn2)CC1
InChIInChI=1S/C17H28N4O/c1-12(2)11-14-7-9-21(10-8-14)16-6-5-15(19-20-16)17(22)18-13(3)4/h5-6,12-14H,7-11H2,1-4H3,(H,18,22)
InChIKeyAEYNIFVWYYCAQV-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.88
Rot. Bonds5

About 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide

6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 166045215) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID166045215
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)CC1CCN(c2ccc(C(=O)NC(C)C)nn2)CC1
InChIInChI=1S/C17H28N4O/c1-12(2)11-14-7-9-21(10-8-14)16-6-5-15(19-20-16)17(22)18-13(3)4/h5-6,12-14H,7-11H2,1-4H3,(H,18,22)
InChIKeyAEYNIFVWYYCAQV-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045089
2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one
CID 167448188
1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
CID 178008605
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide (CID 166045215) is 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide is CC(C)CC1CCN(c2ccc(C(=O)NC(C)C)nn2)CC1.
What is the InChIKey of 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is AEYNIFVWYYCAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)11-14-7-9-21(10-8-14)16-6-5-15(19-20-16)17(22)18-13(3)4/h5-6,12-14H,7-11H2,1-4H3,(H,18,22).
What are the key properties of 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 166045215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).