5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one

C18H23ClN4O — CID 94424877

IUPAC5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one
SMILESC[C@H]1CCCCN1Cc1ccccc1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C18H23ClN4O/c1-13-6-4-5-9-23(13)12-15-8-3-2-7-14(15)10-20-16-11-21-22-18(24)17(16)19/h2-3,7-8,11,13H,4-6,9-10,12H2,1H3,(H2,20,22,24)/t13-/m0/s1
InChIKeyBCGRLHUNBUEZFA-ZDUSSCGKSA-N
MW346.86 g/mol
LogP3.41
Rot. Bonds5

About 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one (PubChem CID 94424877) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one
PubChem CID94424877
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one
SMILESC[C@H]1CCCCN1Cc1ccccc1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C18H23ClN4O/c1-13-6-4-5-9-23(13)12-15-8-3-2-7-14(15)10-20-16-11-21-22-18(24)17(16)19/h2-3,7-8,11,13H,4-6,9-10,12H2,1H3,(H2,20,22,24)/t13-/m0/s1
InChIKeyBCGRLHUNBUEZFA-ZDUSSCGKSA-N
XLogP3.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one with MolForge

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Related Compounds

6-chloro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazin-2-amine
CID 60567887
1-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 56817432
1-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969589
5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
CID 133417471
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylsulfonyl-2-nitroaniline
CID 133393497
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092356
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-6-amine
CID 60504397
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one (CID 94424877) is 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one is C[C@H]1CCCCN1Cc1ccccc1CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one?
The InChIKey is BCGRLHUNBUEZFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-6-4-5-9-23(13)12-15-8-3-2-7-14(15)10-20-16-11-21-22-18(24)17(16)19/h2-3,7-8,11,13H,4-6,9-10,12H2,1H3,(H2,20,22,24)/t13-/m0/s1.
What are the key properties of 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one has a molecular weight of 346.86 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 94424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).