6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide

C17H16N4O2 — CID 176729488

IUPAC6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CC3C(C2)C3C(=O)c2ccccc2)nn1
InChIInChI=1S/C17H16N4O2/c18-17(23)13-6-7-14(20-19-13)21-8-11-12(9-21)15(11)16(22)10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H2,18,23)
InChIKeyBNNKUFOVHZULEA-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.14
Rot. Bonds4

About 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide

6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide (PubChem CID 176729488) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide
PubChem CID176729488
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CC3C(C2)C3C(=O)c2ccccc2)nn1
InChIInChI=1S/C17H16N4O2/c18-17(23)13-6-7-14(20-19-13)21-8-11-12(9-21)15(11)16(22)10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H2,18,23)
InChIKeyBNNKUFOVHZULEA-UHFFFAOYSA-N
XLogP1.14
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyridazine-3-carboxamide
CID 95971166
6-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyridazine-3-carboxamide
CID 95971169
6-[2-(furan-2-yl)morpholin-4-yl]pyridazine-3-carboxamide
CID 133347306
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
2-(6-carbamoylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892219
6-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 80553434
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
(3S,4S)-4-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 72858383
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211

Frequently Asked Questions

What is the IUPAC name of 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide (CID 176729488) is 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide is NC(=O)c1ccc(N2CC3C(C2)C3C(=O)c2ccccc2)nn1.
What is the InChIKey of 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide?
The InChIKey is BNNKUFOVHZULEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-17(23)13-6-7-14(20-19-13)21-8-11-12(9-21)15(11)16(22)10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H2,18,23).
What are the key properties of 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide?
6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-benzoyl-3-azabicyclo[3.1.0]hexan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 176729488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).