N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

C15H12F5N5O2 — CID 153348287

IUPACN-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESN/C(=C(/CNC(=O)c1cnc(OC(F)F)c(F)c1)c1cccnn1)C(F)F
InChIInChI=1S/C15H12F5N5O2/c16-9-4-7(5-23-14(9)27-15(19)20)13(26)22-6-8(11(21)12(17)18)10-2-1-3-24-25-10/h1-5,12,15H,6,21H2,(H,22,26)/b11-8-
InChIKeyAPMPQDSJDUQEDX-FLIBITNWSA-N
MW389.28 g/mol
LogP1.98
Rot. Bonds7

About N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (PubChem CID 153348287) has the molecular formula C15H12F5N5O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
PubChem CID153348287
Molecular FormulaC15H12F5N5O2
Molecular Weight389.28 g/mol
Exact Mass389.09
IUPAC NameN-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESN/C(=C(/CNC(=O)c1cnc(OC(F)F)c(F)c1)c1cccnn1)C(F)F
InChIInChI=1S/C15H12F5N5O2/c16-9-4-7(5-23-14(9)27-15(19)20)13(26)22-6-8(11(21)12(17)18)10-2-1-3-24-25-10/h1-5,12,15H,6,21H2,(H,22,26)/b11-8-
InChIKeyAPMPQDSJDUQEDX-FLIBITNWSA-N
XLogP1.98
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
2-(difluoromethoxy)-5-fluoropyridine-3-carbohydrazide
CID 171547928
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (CID 153348287) is N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is N/C(=C(/CNC(=O)c1cnc(OC(F)F)c(F)c1)c1cccnn1)C(F)F.
What is the InChIKey of N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The InChIKey is APMPQDSJDUQEDX-FLIBITNWSA-N. The full InChI is InChI=1S/C15H12F5N5O2/c16-9-4-7(5-23-14(9)27-15(19)20)13(26)22-6-8(11(21)12(17)18)10-2-1-3-24-25-10/h1-5,12,15H,6,21H2,(H,22,26)/b11-8-.
What are the key properties of N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide has a molecular weight of 389.28 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-4,4-difluoro-2-pyridazin-3-ylbut-2-enyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 153348287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).