4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one

C16H20ClN5O — CID 121472649

IUPAC4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(Cc3ccccn3)C2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN5O/c1-21-16(23)15(17)14(9-19-21)20-13-6-4-8-22(11-13)10-12-5-2-3-7-18-12/h2-3,5,7,9,13,20H,4,6,8,10-11H2,1H3
InChIKeyJQFSARUOROKFGB-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.91
Rot. Bonds4

About 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one

4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one (PubChem CID 121472649) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one
PubChem CID121472649
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(Cc3ccccn3)C2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN5O/c1-21-16(23)15(17)14(9-19-21)20-13-6-4-8-22(11-13)10-12-5-2-3-7-18-12/h2-3,5,7,9,13,20H,4,6,8,10-11H2,1H3
InChIKeyJQFSARUOROKFGB-UHFFFAOYSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one with MolForge

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Related Compounds

5-[(1-benzylpiperidin-3-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 133303350
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
4-chloro-5-[[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 97055677
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
CID 115657637
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one (CID 121472649) is 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one is Cn1ncc(NC2CCCN(Cc3ccccn3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one?
The InChIKey is JQFSARUOROKFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-21-16(23)15(17)14(9-19-21)20-13-6-4-8-22(11-13)10-12-5-2-3-7-18-12/h2-3,5,7,9,13,20H,4,6,8,10-11H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one has a molecular weight of 333.82 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 121472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).