3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide

C22H19Cl3N4O — CID 175425958

IUPAC3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl3N4O/c23-17-6-2-1-5-16(17)20-9-10-21(28-27-20)29-11-3-4-15(13-29)26-22(30)14-7-8-18(24)19(25)12-14/h1-2,5-10,12,15H,3-4,11,13H2,(H,26,30)
InChIKeyFQSGRRPOPCMPJY-UHFFFAOYSA-N
MW461.78 g/mol
LogP5.50
Rot. Bonds4

About 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide

3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide (PubChem CID 175425958) has the molecular formula C22H19Cl3N4O and a molecular weight of 461.78 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide
PubChem CID175425958
Molecular FormulaC22H19Cl3N4O
Molecular Weight461.78 g/mol
Exact Mass460.06
IUPAC Name3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl3N4O/c23-17-6-2-1-5-16(17)20-9-10-21(28-27-20)29-11-3-4-15(13-29)26-22(30)14-7-8-18(24)19(25)12-14/h1-2,5-10,12,15H,3-4,11,13H2,(H,26,30)
InChIKeyFQSGRRPOPCMPJY-UHFFFAOYSA-N
XLogP5.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[6-[3-[(4-chlorobenzoyl)amino]piperidin-1-yl]pyridazin-3-yl]phenyl]carbamate
CID 163363413
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
CID 136568304
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070715
3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124627039
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide (CID 175425958) is 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide is O=C(NC1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide?
The InChIKey is FQSGRRPOPCMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O/c23-17-6-2-1-5-16(17)20-9-10-21(28-27-20)29-11-3-4-15(13-29)26-22(30)14-7-8-18(24)19(25)12-14/h1-2,5-10,12,15H,3-4,11,13H2,(H,26,30).
What are the key properties of 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide?
3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide has a molecular weight of 461.78 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 175425958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).