6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide

C18H21FN4O — CID 109125838

IUPAC6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)Nc2cccc(F)c2)nn1
InChIInChI=1S/C18H21FN4O/c1-2-15-8-3-4-11-23(15)17-10-9-16(21-22-17)18(24)20-14-7-5-6-13(19)12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,20,24)
InChIKeyRKAGBDIVHKBKBC-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.64
Rot. Bonds4

About 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide

6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109125838) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109125838
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)Nc2cccc(F)c2)nn1
InChIInChI=1S/C18H21FN4O/c1-2-15-8-3-4-11-23(15)17-10-9-16(21-22-17)18(24)20-14-7-5-6-13(19)12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,20,24)
InChIKeyRKAGBDIVHKBKBC-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125825
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653
6-(2-ethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109125855
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
N-(2,4-difluorophenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288660
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109123335
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109140348
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide (CID 109125838) is 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide is CCC1CCCCN1c1ccc(C(=O)Nc2cccc(F)c2)nn1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is RKAGBDIVHKBKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-15-8-3-4-11-23(15)17-10-9-16(21-22-17)18(24)20-14-7-5-6-13(19)12-14/h5-7,9-10,12,15H,2-4,8,11H2,1H3,(H,20,24).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide?
6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).