6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane

C14H21BrF2N4O — CID 144895125

IUPAC6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
SMILESCC.O=C(NC1CCN(CC(F)F)CC1)c1ccc(Br)nn1
InChIInChI=1S/C12H15BrF2N4O.C2H6/c13-10-2-1-9(17-18-10)12(20)16-8-3-5-19(6-4-8)7-11(14)15;1-2/h1-2,8,11H,3-7H2,(H,16,20);1-2H3
InChIKeyHBRNIGOYYNAAKR-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.72
Rot. Bonds4

About 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane

6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane (PubChem CID 144895125) has the molecular formula C14H21BrF2N4O and a molecular weight of 379.25 g/mol. Its IUPAC name is 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
PubChem CID144895125
Molecular FormulaC14H21BrF2N4O
Molecular Weight379.25 g/mol
Exact Mass378.09
IUPAC Name6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
SMILESCC.O=C(NC1CCN(CC(F)F)CC1)c1ccc(Br)nn1
InChIInChI=1S/C12H15BrF2N4O.C2H6/c13-10-2-1-9(17-18-10)12(20)16-8-3-5-19(6-4-8)7-11(14)15;1-2/h1-2,8,11H,3-7H2,(H,16,20);1-2H3
InChIKeyHBRNIGOYYNAAKR-UHFFFAOYSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
CID 49074013
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595718
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 138034276
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 78858936
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
(2S)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylsulfanylbutanamide
CID 95621085
4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
CID 49072721
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane?
The IUPAC name of 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane (CID 144895125) is 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane.
What is the SMILES notation for 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane?
The canonical SMILES for 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane is CC.O=C(NC1CCN(CC(F)F)CC1)c1ccc(Br)nn1.
What is the InChIKey of 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane?
The InChIKey is HBRNIGOYYNAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N4O.C2H6/c13-10-2-1-9(17-18-10)12(20)16-8-3-5-19(6-4-8)7-11(14)15;1-2/h1-2,8,11H,3-7H2,(H,16,20);1-2H3.
What are the key properties of 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane?
6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane has a molecular weight of 379.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane is sourced from PubChem (CID 144895125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).