N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H12FN3O2S — CID 46564820

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H12FN3O2S/c17-11-5-3-10(4-6-11)15(13-2-1-9-23-13)18-16(22)12-7-8-14(21)20-19-12/h1-9,15H,(H,18,22)(H,20,21)
InChIKeyXTQZDSPEPAPKOV-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46564820) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46564820
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H12FN3O2S/c17-11-5-3-10(4-6-11)15(13-2-1-9-23-13)18-16(22)12-7-8-14(21)20-19-12/h1-9,15H,(H,18,22)(H,20,21)
InChIKeyXTQZDSPEPAPKOV-UHFFFAOYSA-N
XLogP2.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51207018
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 46564820) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is XTQZDSPEPAPKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-11-5-3-10(4-6-11)15(13-2-1-9-23-13)18-16(22)12-7-8-14(21)20-19-12/h1-9,15H,(H,18,22)(H,20,21).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46564820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).