N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide

C16H13N3O3 — CID 7593581

IUPACN-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)nn1
InChIInChI=1S/C16H13N3O3/c1-21-15-9-8-13(18-19-15)11-4-6-12(7-5-11)17-16(20)14-3-2-10-22-14/h2-10H,1H3,(H,17,20)
InChIKeyQEBFZGXIKWLYEM-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.00
Rot. Bonds4

About N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide

N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide (PubChem CID 7593581) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide
PubChem CID7593581
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)nn1
InChIInChI=1S/C16H13N3O3/c1-21-15-9-8-13(18-19-15)11-4-6-12(7-5-11)17-16(20)14-3-2-10-22-14/h2-10H,1H3,(H,17,20)
InChIKeyQEBFZGXIKWLYEM-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide (CID 7593581) is N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide is COc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)nn1.
What is the InChIKey of N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is QEBFZGXIKWLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-15-9-8-13(18-19-15)11-4-6-12(7-5-11)17-16(20)14-3-2-10-22-14/h2-10H,1H3,(H,17,20).
What are the key properties of N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).