1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one

C17H15ClN4O — CID 165134264

IUPAC1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(CNc2cnnc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN4O/c18-16-9-15(11-20-21-16)19-10-13-4-6-14(7-5-13)12-22-8-2-1-3-17(22)23/h1-9,11H,10,12H2,(H,19,21)
InChIKeyYUJHXOYSXVXTIM-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.95
Rot. Bonds5

About 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one

1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one (PubChem CID 165134264) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one
PubChem CID165134264
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(CNc2cnnc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN4O/c18-16-9-15(11-20-21-16)19-10-13-4-6-14(7-5-13)12-22-8-2-1-3-17(22)23/h1-9,11H,10,12H2,(H,19,21)
InChIKeyYUJHXOYSXVXTIM-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one (CID 165134264) is 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one is O=c1ccccn1Cc1ccc(CNc2cnnc(Cl)c2)cc1.
What is the InChIKey of 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one?
The InChIKey is YUJHXOYSXVXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-16-9-15(11-20-21-16)19-10-13-4-6-14(7-5-13)12-22-8-2-1-3-17(22)23/h1-9,11H,10,12H2,(H,19,21).
What are the key properties of 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one?
1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one has a molecular weight of 326.79 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 165134264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).