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

C17H26N4O2 — CID 166045089

IUPAC6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCC(C(=O)C(C)C)CC2)nn1
InChIInChI=1S/C17H26N4O2/c1-11(2)16(22)13-7-9-21(10-8-13)15-6-5-14(19-20-15)17(23)18-12(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,18,23)
InChIKeyHEHADKRDKAQBFV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.06
Rot. Bonds5

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

6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 166045089) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID166045089
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCC(C(=O)C(C)C)CC2)nn1
InChIInChI=1S/C17H26N4O2/c1-11(2)16(22)13-7-9-21(10-8-13)15-6-5-14(19-20-15)17(23)18-12(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,18,23)
InChIKeyHEHADKRDKAQBFV-UHFFFAOYSA-N
XLogP2.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
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
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 138037708
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide (CID 166045089) is 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(N2CCC(C(=O)C(C)C)CC2)nn1.
What is the InChIKey of 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is HEHADKRDKAQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)16(22)13-7-9-21(10-8-13)15-6-5-14(19-20-15)17(23)18-12(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,18,23).
What are the key properties of 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide?
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 166045089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).