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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Related Compounds

trans-(1R,2R)-2-(3-chlorophenyl)-N-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 165134020
1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyridazin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 177306535
N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide
CID 165133941
1-[[4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]phenyl]methyl]pyridin-2-one
CID 86796687
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
CID 62208669
2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 71881348
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
2-(3,4-dichlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55859224
6-chloro-N-(2-pyrazol-1-ylethyl)pyridazin-4-amine
CID 114478512

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).