N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide

C19H16F2N4O2 — CID 109129455

IUPACN-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-15(17)23-18-10-9-16(24-25-18)19(26)22-12-7-8-13(20)14(21)11-12/h3-11H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyGCXNJVCGDZFRCX-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.15
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide (PubChem CID 109129455) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
PubChem CID109129455
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-15(17)23-18-10-9-16(24-25-18)19(26)22-12-7-8-13(20)14(21)11-12/h3-11H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyGCXNJVCGDZFRCX-UHFFFAOYSA-N
XLogP4.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide (CID 109129455) is N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide is CCOc1ccccc1Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide?
The InChIKey is GCXNJVCGDZFRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-2-27-17-6-4-3-5-15(17)23-18-10-9-16(24-25-18)19(26)22-12-7-8-13(20)14(21)11-12/h3-11H,2H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).