6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide

C20H15F5N4O3 — CID 155337561

IUPAC6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(C(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C20H15F5N4O3/c21-17(22)12-5-3-11(4-6-12)15-8-14(18(31)27-10-16(30)20(23,24)25)19(32)29(28-15)13-2-1-7-26-9-13/h1-9,16-17,30H,10H2,(H,27,31)
InChIKeyRHOWMSJGVJEJKF-UHFFFAOYSA-N
MW454.36 g/mol
LogP2.89
Rot. Bonds6

About 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide

6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide (PubChem CID 155337561) has the molecular formula C20H15F5N4O3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
PubChem CID155337561
Molecular FormulaC20H15F5N4O3
Molecular Weight454.36 g/mol
Exact Mass454.11
IUPAC Name6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(C(F)F)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C20H15F5N4O3/c21-17(22)12-5-3-11(4-6-12)15-8-14(18(31)27-10-16(30)20(23,24)25)19(32)29(28-15)13-2-1-7-26-9-13/h1-9,16-17,30H,10H2,(H,27,31)
InChIKeyRHOWMSJGVJEJKF-UHFFFAOYSA-N
XLogP2.89
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
The IUPAC name of 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide (CID 155337561) is 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
The canonical SMILES for 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide is O=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(C(F)F)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
The InChIKey is RHOWMSJGVJEJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O3/c21-17(22)12-5-3-11(4-6-12)15-8-14(18(31)27-10-16(30)20(23,24)25)19(32)29(28-15)13-2-1-7-26-9-13/h1-9,16-17,30H,10H2,(H,27,31).
What are the key properties of 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide?
6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide has a molecular weight of 454.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide is sourced from PubChem (CID 155337561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).