6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide

C16H17ClFN5O — CID 133340969

IUPAC6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C16H17ClFN5O/c17-14-9-11(15(19)24)16(22-21-14)23-7-5-10(6-8-23)20-13-4-2-1-3-12(13)18/h1-4,9-10,20H,5-8H2,(H2,19,24)
InChIKeySZWLUPLDBAORDJ-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.45
Rot. Bonds4

About 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide

6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide (PubChem CID 133340969) has the molecular formula C16H17ClFN5O and a molecular weight of 349.80 g/mol. Its IUPAC name is 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide
PubChem CID133340969
Molecular FormulaC16H17ClFN5O
Molecular Weight349.80 g/mol
Exact Mass349.11
IUPAC Name6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C16H17ClFN5O/c17-14-9-11(15(19)24)16(22-21-14)23-7-5-10(6-8-23)20-13-4-2-1-3-12(13)18/h1-4,9-10,20H,5-8H2,(H2,19,24)
InChIKeySZWLUPLDBAORDJ-UHFFFAOYSA-N
XLogP2.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998533
6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
CID 133341091
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one
CID 133330747
5-chloro-2-[4-(2-fluoroanilino)piperidin-1-yl]benzonitrile
CID 133330842
methyl 2-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-5-nitrobenzoate
CID 133394504
2-(cyclopropylamino)benzamide
CID 119089293
3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
CID 97220067
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 154758654
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
3,5-difluoro-4-[4-(2-fluoroanilino)piperidin-1-yl]benzonitrile
CID 133330748
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide (CID 133340969) is 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide?
The InChIKey is SZWLUPLDBAORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O/c17-14-9-11(15(19)24)16(22-21-14)23-7-5-10(6-8-23)20-13-4-2-1-3-12(13)18/h1-4,9-10,20H,5-8H2,(H2,19,24).
What are the key properties of 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide?
6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide has a molecular weight of 349.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 133340969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).