4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide

C23H18FN5O — CID 133277145

IUPAC4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C23H18FN5O/c24-19-7-5-17(6-8-19)21-9-10-22(29-28-21)26-15-16-1-3-18(4-2-16)23(30)27-20-11-13-25-14-12-20/h1-14H,15H2,(H,26,29)(H,25,27,30)
InChIKeyMOZHIKGLESNGDZ-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.54
Rot. Bonds6

About 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide

4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 133277145) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
PubChem CID133277145
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C23H18FN5O/c24-19-7-5-17(6-8-19)21-9-10-22(29-28-21)26-15-16-1-3-18(4-2-16)23(30)27-20-11-13-25-14-12-20/h1-14H,15H2,(H,26,29)(H,25,27,30)
InChIKeyMOZHIKGLESNGDZ-UHFFFAOYSA-N
XLogP4.54
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide
CID 133420283
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
CID 122144317
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide (CID 133277145) is 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(CNc2ccc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is MOZHIKGLESNGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-19-7-5-17(6-8-19)21-9-10-22(29-28-21)26-15-16-1-3-18(4-2-16)23(30)27-20-11-13-25-14-12-20/h1-14H,15H2,(H,26,29)(H,25,27,30).
What are the key properties of 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide?
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 399.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 133277145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).