N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide

C16H13FN4O2 — CID 109117480

IUPACN-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H13FN4O2/c17-11-3-1-4-12(9-11)19-16(22)14-6-7-15(21-20-14)18-10-13-5-2-8-23-13/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyZUSQVLYMSCHICX-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.07
Rot. Bonds5

About N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide

N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109117480) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109117480
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H13FN4O2/c17-11-3-1-4-12(9-11)19-16(22)14-6-7-15(21-20-14)18-10-13-5-2-8-23-13/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyZUSQVLYMSCHICX-UHFFFAOYSA-N
XLogP3.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117446
N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117441
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117515
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109117480) is N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(NCc2ccco2)nn1.
What is the InChIKey of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is ZUSQVLYMSCHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-11-3-1-4-12(9-11)19-16(22)14-6-7-15(21-20-14)18-10-13-5-2-8-23-13/h1-9H,10H2,(H,18,21)(H,19,22).
What are the key properties of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).