N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide

C17H18Cl2N4O — CID 46568702

IUPACN-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1Cl
InChIInChI=1S/C17H18Cl2N4O/c1-11-2-3-13(10-14(11)18)20-17(24)12-6-8-23(9-7-12)16-5-4-15(19)21-22-16/h2-5,10,12H,6-9H2,1H3,(H,20,24)
InChIKeyGACLCUSATPHYGI-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 46568702) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
PubChem CID46568702
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1Cl
InChIInChI=1S/C17H18Cl2N4O/c1-11-2-3-13(10-14(11)18)20-17(24)12-6-8-23(9-7-12)16-5-4-15(19)21-22-16/h2-5,10,12H,6-9H2,1H3,(H,20,24)
InChIKeyGACLCUSATPHYGI-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 35367631
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875988
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
methyl 2-[[4-[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46587333
N-(3-chloro-4-fluorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
CID 50743000
1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 35367747
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide (CID 46568702) is N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is GACLCUSATPHYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-11-2-3-13(10-14(11)18)20-17(24)12-6-8-23(9-7-12)16-5-4-15(19)21-22-16/h2-5,10,12H,6-9H2,1H3,(H,20,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46568702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).