4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one

C19H25ClN4O2 — CID 133315934

IUPAC4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(C2C(CNc3cnn(C)c(=O)c3Cl)CCCN2C)cc1
InChIInChI=1S/C19H25ClN4O2/c1-23-10-4-5-14(18(23)13-6-8-15(26-3)9-7-13)11-21-16-12-22-24(2)19(25)17(16)20/h6-9,12,14,18,21H,4-5,10-11H2,1-3H3
InChIKeyJQKNHCOSDYYVGX-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.94
Rot. Bonds5

About 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one

4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one (PubChem CID 133315934) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
PubChem CID133315934
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(C2C(CNc3cnn(C)c(=O)c3Cl)CCCN2C)cc1
InChIInChI=1S/C19H25ClN4O2/c1-23-10-4-5-14(18(23)13-6-8-15(26-3)9-7-13)11-21-16-12-22-24(2)19(25)17(16)20/h6-9,12,14,18,21H,4-5,10-11H2,1-3H3
InChIKeyJQKNHCOSDYYVGX-UHFFFAOYSA-N
XLogP2.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114417794
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133315978
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine
CID 133315969
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-methylbutane-1-sulfonamide
CID 86959910
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954866
4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 86959916
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
4-(5-amino-4-cyanopyrazol-1-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86958515
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86955067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one (CID 133315934) is 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one is COc1ccc(C2C(CNc3cnn(C)c(=O)c3Cl)CCCN2C)cc1.
What is the InChIKey of 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one?
The InChIKey is JQKNHCOSDYYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-23-10-4-5-14(18(23)13-6-8-15(26-3)9-7-13)11-21-16-12-22-24(2)19(25)17(16)20/h6-9,12,14,18,21H,4-5,10-11H2,1-3H3.
What are the key properties of 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one has a molecular weight of 376.89 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133315934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).