3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide

C15H16F2N4O — CID 153407339

IUPAC3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide
SMILESCCCNc1ccccc1NC(=O)c1ccnnc1C(F)F
InChIInChI=1S/C15H16F2N4O/c1-2-8-18-11-5-3-4-6-12(11)20-15(22)10-7-9-19-21-13(10)14(16)17/h3-7,9,14,18H,2,8H2,1H3,(H,20,22)
InChIKeyYWILKQVTHFJQIN-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.49
Rot. Bonds6

About 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide

3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide (PubChem CID 153407339) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide
PubChem CID153407339
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide
SMILESCCCNc1ccccc1NC(=O)c1ccnnc1C(F)F
InChIInChI=1S/C15H16F2N4O/c1-2-8-18-11-5-3-4-6-12(11)20-15(22)10-7-9-19-21-13(10)14(16)17/h3-7,9,14,18H,2,8H2,1H3,(H,20,22)
InChIKeyYWILKQVTHFJQIN-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide (CID 153407339) is 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide is CCCNc1ccccc1NC(=O)c1ccnnc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide?
The InChIKey is YWILKQVTHFJQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-2-8-18-11-5-3-4-6-12(11)20-15(22)10-7-9-19-21-13(10)14(16)17/h3-7,9,14,18H,2,8H2,1H3,(H,20,22).
What are the key properties of 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide?
3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 153407339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).