6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

C18H23FN4O — CID 109119564

IUPAC6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)NCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H23FN4O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)18(24)20-13-14-5-7-15(19)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,20,24)
InChIKeyVOFUHUMPBZXFBE-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.17
Rot. Bonds8

About 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109119564) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID109119564
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)NCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H23FN4O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)18(24)20-13-14-5-7-15(19)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,20,24)
InChIKeyVOFUHUMPBZXFBE-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126163
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
N-(1,3-benzodioxol-5-ylmethyl)-6-(diethylamino)pyridazine-3-carboxamide
CID 109120436
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126210
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (CID 109119564) is 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is CCCN(CCC)c1ccc(C(=O)NCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is VOFUHUMPBZXFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)18(24)20-13-14-5-7-15(19)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,20,24).
What are the key properties of 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109119564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).