2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one

C17H23ClN6O — CID 126937686

IUPAC2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCCCC2CNc2ncc(Cl)cn2)n1
InChIInChI=1S/C17H23ClN6O/c1-13-5-6-16(25)24(22-13)9-8-23-7-3-2-4-15(23)12-21-17-19-10-14(18)11-20-17/h5-6,10-11,15H,2-4,7-9,12H2,1H3,(H,19,20,21)
InChIKeyANHWWIIHPMQPCU-UHFFFAOYSA-N
MW362.87 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126937686) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126937686
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC Name2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCCCC2CNc2ncc(Cl)cn2)n1
InChIInChI=1S/C17H23ClN6O/c1-13-5-6-16(25)24(22-13)9-8-23-7-3-2-4-15(23)12-21-17-19-10-14(18)11-20-17/h5-6,10-11,15H,2-4,7-9,12H2,1H3,(H,19,20,21)
InChIKeyANHWWIIHPMQPCU-UHFFFAOYSA-N
XLogP1.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
2-[2-[2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-tert-butylpyridazin-3-one
CID 126937873
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126937610
2-[2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937730
4-methyl-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126937638
6-tert-butyl-2-[2-[2-[[(6-methylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937882
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700
6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937891
4-bromo-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126937766
6-tert-butyl-2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937906
6-tert-butyl-2-[2-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937892

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126937686) is 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCCCC2CNc2ncc(Cl)cn2)n1.
What is the InChIKey of 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is ANHWWIIHPMQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O/c1-13-5-6-16(25)24(22-13)9-8-23-7-3-2-4-15(23)12-21-17-19-10-14(18)11-20-17/h5-6,10-11,15H,2-4,7-9,12H2,1H3,(H,19,20,21).
What are the key properties of 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 362.87 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126937686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).