4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one

C17H14Cl2N4O — CID 133364168

IUPAC4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC(c2cccc(Cl)c2)c2ccccn2)c(Cl)c1=O
InChIInChI=1S/C17H14Cl2N4O/c1-23-17(24)15(19)14(10-21-23)22-16(13-7-2-3-8-20-13)11-5-4-6-12(18)9-11/h2-10,16,22H,1H3
InChIKeyJZXOQEDUPCICQN-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one (PubChem CID 133364168) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
PubChem CID133364168
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC(c2cccc(Cl)c2)c2ccccn2)c(Cl)c1=O
InChIInChI=1S/C17H14Cl2N4O/c1-23-17(24)15(19)14(10-21-23)22-16(13-7-2-3-8-20-13)11-5-4-6-12(18)9-11/h2-10,16,22H,1H3
InChIKeyJZXOQEDUPCICQN-UHFFFAOYSA-N
XLogP3.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
CID 56584790
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133364190
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
CID 133364013
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
4-chloro-2-methyl-5-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridazin-3-one
CID 110512524
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
CID 115612275
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one (CID 133364168) is 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one is Cn1ncc(NC(c2cccc(Cl)c2)c2ccccn2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one?
The InChIKey is JZXOQEDUPCICQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-23-17(24)15(19)14(10-21-23)22-16(13-7-2-3-8-20-13)11-5-4-6-12(18)9-11/h2-10,16,22H,1H3.
What are the key properties of 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one has a molecular weight of 361.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133364168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).