N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide

C19H17FN4O3 — CID 113048870

IUPACN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3cccc(F)c3)nn2)cc1OC
InChIInChI=1S/C19H17FN4O3/c1-26-15-7-6-14(11-16(15)27-2)21-17-8-9-18(24-23-17)22-19(25)12-4-3-5-13(20)10-12/h3-11H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyMOIIDIKWEITAEN-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.63
Rot. Bonds6

About N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide (PubChem CID 113048870) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
PubChem CID113048870
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3cccc(F)c3)nn2)cc1OC
InChIInChI=1S/C19H17FN4O3/c1-26-15-7-6-14(11-16(15)27-2)21-17-8-9-18(24-23-17)22-19(25)12-4-3-5-13(20)10-12/h3-11H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyMOIIDIKWEITAEN-UHFFFAOYSA-N
XLogP3.63
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051223
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide (CID 113048870) is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide is COc1ccc(Nc2ccc(NC(=O)c3cccc(F)c3)nn2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide?
The InChIKey is MOIIDIKWEITAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-26-15-7-6-14(11-16(15)27-2)21-17-8-9-18(24-23-17)22-19(25)12-4-3-5-13(20)10-12/h3-11H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide?
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide has a molecular weight of 368.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 113048870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).