N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide

C18H21ClN4O2 — CID 71795253

IUPACN-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C18H21ClN4O2/c1-12-14(19)6-3-7-15(12)20-18(25)13-5-4-10-23(11-13)16-8-9-17(24)22(2)21-16/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,20,25)
InChIKeyGKXPFMBXMLYJER-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.60
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 71795253) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
PubChem CID71795253
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C18H21ClN4O2/c1-12-14(19)6-3-7-15(12)20-18(25)13-5-4-10-23(11-13)16-8-9-17(24)22(2)21-16/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,20,25)
InChIKeyGKXPFMBXMLYJER-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071139
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
N-(2,3-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 71795304
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 97104627
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95985916
N-(2,3-dimethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071068
(3S)-N-(2,3-dimethylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069440
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 53071198

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide (CID 71795253) is N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CCCN(c2ccc(=O)n(C)n2)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is GKXPFMBXMLYJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-14(19)6-3-7-15(12)20-18(25)13-5-4-10-23(11-13)16-8-9-17(24)22(2)21-16/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71795253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).