6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide

C15H14F2N4O — CID 170358965

IUPAC6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide
SMILESNC(=O)c1cnnc(Cc2cc(F)c(F)cc2NC2CC2)c1
InChIInChI=1S/C15H14F2N4O/c16-12-5-8(14(6-13(12)17)20-10-1-2-10)3-11-4-9(15(18)22)7-19-21-11/h4-7,10,20H,1-3H2,(H2,18,22)
InChIKeyFUILYAOUURXODG-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.02
Rot. Bonds5

About 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide

6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide (PubChem CID 170358965) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide
PubChem CID170358965
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide
SMILESNC(=O)c1cnnc(Cc2cc(F)c(F)cc2NC2CC2)c1
InChIInChI=1S/C15H14F2N4O/c16-12-5-8(14(6-13(12)17)20-10-1-2-10)3-11-4-9(15(18)22)7-19-21-11/h4-7,10,20H,1-3H2,(H2,18,22)
InChIKeyFUILYAOUURXODG-UHFFFAOYSA-N
XLogP2.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide?
The IUPAC name of 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide (CID 170358965) is 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide is NC(=O)c1cnnc(Cc2cc(F)c(F)cc2NC2CC2)c1.
What is the InChIKey of 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide?
The InChIKey is FUILYAOUURXODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-12-5-8(14(6-13(12)17)20-10-1-2-10)3-11-4-9(15(18)22)7-19-21-11/h4-7,10,20H,1-3H2,(H2,18,22).
What are the key properties of 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide?
6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 170358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).