1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

C25H27ClN4O2 — CID 53070705

IUPAC1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)ccc2=O)cc1Cl
InChIInChI=1S/C25H27ClN4O2/c1-16-7-8-20(15-21(16)26)30-23(31)10-9-22(28-30)29-13-11-19(12-14-29)25(32)27-24-17(2)5-4-6-18(24)3/h4-10,15,19H,11-14H2,1-3H3,(H,27,32)
InChIKeyDOKGNRIPFJOWTB-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.67
Rot. Bonds4

About 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 53070705) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
PubChem CID53070705
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)ccc2=O)cc1Cl
InChIInChI=1S/C25H27ClN4O2/c1-16-7-8-20(15-21(16)26)30-23(31)10-9-22(28-30)29-13-11-19(12-14-29)25(32)27-24-17(2)5-4-6-18(24)3/h4-10,15,19H,11-14H2,1-3H3,(H,27,32)
InChIKeyDOKGNRIPFJOWTB-UHFFFAOYSA-N
XLogP4.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 53071198
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 53070721
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53070709
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070575
N-(2-chloro-4-fluorophenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070666
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 53071211
N-(2-chloro-4-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070556
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 53070806
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53071196
(3S)-1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95069668
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53071190

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (CID 53070705) is 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is Cc1ccc(-n2nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)ccc2=O)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is DOKGNRIPFJOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-16-7-8-20(15-21(16)26)30-23(31)10-9-22(28-30)29-13-11-19(12-14-29)25(32)27-24-17(2)5-4-6-18(24)3/h4-10,15,19H,11-14H2,1-3H3,(H,27,32).
What are the key properties of 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 450.97 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53070705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).