3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide

C16H13ClN4O2 — CID 113040674

IUPAC3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O2/c17-12-4-1-3-11(9-12)16(22)19-15-7-6-14(20-21-15)18-10-13-5-2-8-23-13/h1-9H,10H2,(H,18,20)(H,19,21,22)
InChIKeyCZJWTYKDONWCMA-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.59
Rot. Bonds5

About 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide

3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide (PubChem CID 113040674) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
PubChem CID113040674
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O2/c17-12-4-1-3-11(9-12)16(22)19-15-7-6-14(20-21-15)18-10-13-5-2-8-23-13/h1-9H,10H2,(H,18,20)(H,19,21,22)
InChIKeyCZJWTYKDONWCMA-UHFFFAOYSA-N
XLogP3.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
N-(3,5-dichlorophenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
CID 109169407
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117441
N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117446

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide (CID 113040674) is 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCc2ccco2)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The InChIKey is CZJWTYKDONWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-4-1-3-11(9-12)16(22)19-15-7-6-14(20-21-15)18-10-13-5-2-8-23-13/h1-9H,10H2,(H,18,20)(H,19,21,22).
What are the key properties of 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide has a molecular weight of 328.76 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113040674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).