6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide

C19H15F3N4O2 — CID 59018008

IUPAC6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)14-3-1-2-12(10-14)4-9-24-17(27)15-11-16(25-26-18(15)28)13-5-7-23-8-6-13/h1-3,5-8,10-11H,4,9H2,(H,24,27)(H,26,28)
InChIKeyAHWHDHJQMOKGJP-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.82
Rot. Bonds5

About 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide

6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide (PubChem CID 59018008) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
PubChem CID59018008
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)14-3-1-2-12(10-14)4-9-24-17(27)15-11-16(25-26-18(15)28)13-5-7-23-8-6-13/h1-3,5-8,10-11H,4,9H2,(H,24,27)(H,26,28)
InChIKeyAHWHDHJQMOKGJP-UHFFFAOYSA-N
XLogP2.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide (CID 59018008) is 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The InChIKey is AHWHDHJQMOKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)14-3-1-2-12(10-14)4-9-24-17(27)15-11-16(25-26-18(15)28)13-5-7-23-8-6-13/h1-3,5-8,10-11H,4,9H2,(H,24,27)(H,26,28).
What are the key properties of 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-pyridin-4-yl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59018008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).