6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide

C13H11F3N4O3 — CID 37298369

IUPAC6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)7-23-12-8(2-1-5-17-12)6-18-11(22)9-3-4-10(21)20-19-9/h1-5H,6-7H2,(H,18,22)(H,20,21)
InChIKeyOZBKZRLAJUTJGK-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.04
Rot. Bonds5

About 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide (PubChem CID 37298369) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
PubChem CID37298369
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1OCC(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)7-23-12-8(2-1-5-17-12)6-18-11(22)9-3-4-10(21)20-19-9/h1-5H,6-7H2,(H,18,22)(H,20,21)
InChIKeyOZBKZRLAJUTJGK-UHFFFAOYSA-N
XLogP1.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42291285
4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 56563614
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37297652
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613812
methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
CID 55778080
4-(2-oxopiperidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55614012
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 56742651
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide (CID 37298369) is 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide is O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is OZBKZRLAJUTJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c14-13(15,16)7-23-12-8(2-1-5-17-12)6-18-11(22)9-3-4-10(21)20-19-9/h1-5H,6-7H2,(H,18,22)(H,20,21).
What are the key properties of 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 37298369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).