4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide

C19H20FN5O2 — CID 118498063

IUPAC4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide
SMILESCC(C)(Nc1ccc(-c2cc(C(N)=O)ccc2F)nn1)C1C=CCC(=O)N1
InChIInChI=1S/C19H20FN5O2/c1-19(2,15-4-3-5-17(26)22-15)23-16-9-8-14(24-25-16)12-10-11(18(21)27)6-7-13(12)20/h3-4,6-10,15H,5H2,1-2H3,(H2,21,27)(H,22,26)(H,23,25)
InChIKeyAFERSOOFZGOMAG-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.02
Rot. Bonds5

About 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide

4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide (PubChem CID 118498063) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide
PubChem CID118498063
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide
SMILESCC(C)(Nc1ccc(-c2cc(C(N)=O)ccc2F)nn1)C1C=CCC(=O)N1
InChIInChI=1S/C19H20FN5O2/c1-19(2,15-4-3-5-17(26)22-15)23-16-9-8-14(24-25-16)12-10-11(18(21)27)6-7-13(12)20/h3-4,6-10,15H,5H2,1-2H3,(H2,21,27)(H,22,26)(H,23,25)
InChIKeyAFERSOOFZGOMAG-UHFFFAOYSA-N
XLogP2.02
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-(tert-butylamino)-1,2,4-triazin-6-yl]-4-fluorobenzamide
CID 54591005
3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 67452929
3-[6-[[1-[(3Z,5E)-6-amino-5-methoxyhexa-1,3,5-trien-2-yl]cyclobutyl]amino]pyridazin-3-yl]-4-fluorobenzamide
CID 88899648
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
3-[6-[1-[6-(difluoromethoxy)-2-pyridinyl]propan-2-ylamino]pyridazin-3-yl]-4-fluorobenzamide
CID 123512575
4-fluoro-3-(4-fluorophenyl)benzamide
CID 46312266
3-N-(2-cyclopentyl-2-methylpropyl)-4-fluorobenzene-1,3-dicarboxamide
CID 166285297
4-[6-[[(3aS)-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-3-fluorobenzamide
CID 165403968
3-[6-[[3-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)propyl]amino]pyridazin-3-yl]benzamide
CID 53496351
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
(E)-3-[4-[6-(9-azabicyclo[3.3.1]nonan-3-ylmethylamino)pyridazin-3-yl]-3-hydroxyphenyl]-N,N-dimethylbut-2-enamide
CID 155797554
N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine
CID 116970953

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide (CID 118498063) is 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide is CC(C)(Nc1ccc(-c2cc(C(N)=O)ccc2F)nn1)C1C=CCC(=O)N1.
What is the InChIKey of 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide?
The InChIKey is AFERSOOFZGOMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-19(2,15-4-3-5-17(26)22-15)23-16-9-8-14(24-25-16)12-10-11(18(21)27)6-7-13(12)20/h3-4,6-10,15H,5H2,1-2H3,(H2,21,27)(H,22,26)(H,23,25).
What are the key properties of 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide?
4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 118498063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).