sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride

C17H11Cl2N4NaO3 — CID 172996861

IUPACsodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1cnncc12.[H-].[Na+]
InChIInChI=1S/C17H10Cl2N4O3.Na.H/c1-25-12-3-2-8(14-9-4-21-22-7-13(9)26-16(12)14)17(24)23-15-10(18)5-20-6-11(15)19;;/h2-7H,1H3,(H,20,23,24);;/q;+1;-1
InChIKeyOYPGYFTUNXPSLF-UHFFFAOYSA-N
MW413.20 g/mol
LogP1.46
Rot. Bonds3

About sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride

sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride (PubChem CID 172996861) has the molecular formula C17H11Cl2N4NaO3 and a molecular weight of 413.20 g/mol. Its IUPAC name is sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride.

Molecular Properties

Compound Namesodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
PubChem CID172996861
Molecular FormulaC17H11Cl2N4NaO3
Molecular Weight413.20 g/mol
Exact Mass412.01
IUPAC Namesodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1cnncc12.[H-].[Na+]
InChIInChI=1S/C17H10Cl2N4O3.Na.H/c1-25-12-3-2-8(14-9-4-21-22-7-13(9)26-16(12)14)17(24)23-15-10(18)5-20-6-11(15)19;;/h2-7H,1H3,(H,20,23,24);;/q;+1;-1
InChIKeyOYPGYFTUNXPSLF-UHFFFAOYSA-N
XLogP1.46
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride with MolForge

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Related Compounds

sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875
7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
CID 141311762
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101

Frequently Asked Questions

What is the IUPAC name of sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride?
The IUPAC name of sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride (CID 172996861) is sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride.
What is the SMILES notation for sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride?
The canonical SMILES for sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1cnncc12.[H-].[Na+].
What is the InChIKey of sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride?
The InChIKey is OYPGYFTUNXPSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O3.Na.H/c1-25-12-3-2-8(14-9-4-21-22-7-13(9)26-16(12)14)17(24)23-15-10(18)5-20-6-11(15)19;;/h2-7H,1H3,(H,20,23,24);;/q;+1;-1.
What are the key properties of sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride?
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride has a molecular weight of 413.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride is sourced from PubChem (CID 172996861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).