4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C17H25N3O — CID 141219268

IUPAC4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1nnccc1C1CCCCCC1
InChIInChI=1S/C17H25N3O/c21-17(18-11-9-13-7-8-13)16-15(10-12-19-20-16)14-5-3-1-2-4-6-14/h10,12-14H,1-9,11H2,(H,18,21)
InChIKeyAVHLVKQLDCRSOT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.44
Rot. Bonds5

About 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (PubChem CID 141219268) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
PubChem CID141219268
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1nnccc1C1CCCCCC1
InChIInChI=1S/C17H25N3O/c21-17(18-11-9-13-7-8-13)16-15(10-12-19-20-16)14-5-3-1-2-4-6-14/h10,12-14H,1-9,11H2,(H,18,21)
InChIKeyAVHLVKQLDCRSOT-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methylamino)ethyl)benzamide
CID 44578960
US10689345, Example 67
CID 122590485
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CID 155555793
5-cyclopropyl-N-{1-[(1S)-1-phenylethyl]azetidin-3-yl}pyridazine-3-carboxamide
CID 132219928
5-cyclopropyl-N-[1-(propan-2-yl)azetidin-3-yl]pyridazine-3-carboxamide
CID 132219931
N-(1-benzylazetidin-3-yl)-5-cyclopropylpyridazine-3-carboxamide
CID 132219934
5-cyclopropyl-N-(1-ethylazetidin-3-yl)pyridazine-3-carboxamide
CID 132220053
5-cyclopropyl-N-(1-methylazetidin-3-yl)pyridazine-3-carboxamide
CID 132220062
(R)-N-(1-cyanopyrrolidin-3-yl)-5-phenylpyridazine-3-carboxamide
CID 146676341
N-[(3S*,4R*)-4-(4-methylphenyl)-1-(3-pyridazinylcarbonyl)-3-pyrrolidinyl]cyclopropanecarboxamide
CID 70735777
5-cyclopropyl-N-{1-[(1R)-1-phenylethyl]azetidin-3-yl}pyridazine-3-carboxamide
CID 132219930
N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
CID 136555200

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (CID 141219268) is 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is O=C(NCCC1CC1)c1nnccc1C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The InChIKey is AVHLVKQLDCRSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(18-11-9-13-7-8-13)16-15(10-12-19-20-16)14-5-3-1-2-4-6-14/h10,12-14H,1-9,11H2,(H,18,21).
What are the key properties of 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 141219268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).