3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C23H23ClN4O2 — CID 110253871

IUPAC3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1
InChIInChI=1S/C23H23ClN4O2/c1-15-11-16(12-17-5-2-3-7-19(17)24)13-21(25-15)18-6-4-10-28(14-18)23(30)20-8-9-22(29)27-26-20/h2-3,5,7-9,11,13,18H,4,6,10,12,14H2,1H3,(H,27,29)
InChIKeyXVFUTTSYZQUBBZ-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.74
Rot. Bonds4

About 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110253871) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110253871
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1
InChIInChI=1S/C23H23ClN4O2/c1-15-11-16(12-17-5-2-3-7-19(17)24)13-21(25-15)18-6-4-10-28(14-18)23(30)20-8-9-22(29)27-26-20/h2-3,5,7-9,11,13,18H,4,6,10,12,14H2,1H3,(H,27,29)
InChIKeyXVFUTTSYZQUBBZ-UHFFFAOYSA-N
XLogP3.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95816362
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95816436
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110252642
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95814437
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110253908
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110252661
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95814319
(2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252665
1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 95814306
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 110252715

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 110253871) is 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is Cc1cc(Cc2ccccc2Cl)cc(C2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1.
What is the InChIKey of 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is XVFUTTSYZQUBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-11-16(12-17-5-2-3-7-19(17)24)13-21(25-15)18-6-4-10-28(14-18)23(30)20-8-9-22(29)27-26-20/h2-3,5,7-9,11,13,18H,4,6,10,12,14H2,1H3,(H,27,29).
What are the key properties of 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 422.92 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110253871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).