N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C24H25ClN4O2 — CID 53025152

IUPACN-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-16-5-3-6-17(13-16)21-9-11-23(28-27-21)29-12-4-7-18(15-29)24(30)26-19-8-10-22(31-2)20(25)14-19/h3,5-6,8-11,13-14,18H,4,7,12,15H2,1-2H3,(H,26,30)
InChIKeyBTUQRVUMQNDETK-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.97
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 53025152) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID53025152
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-16-5-3-6-17(13-16)21-9-11-23(28-27-21)29-12-4-7-18(15-29)24(30)26-19-8-10-22(31-2)20(25)14-19/h3,5-6,8-11,13-14,18H,4,7,12,15H2,1-2H3,(H,26,30)
InChIKeyBTUQRVUMQNDETK-UHFFFAOYSA-N
XLogP4.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055955
N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375078
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 97414234
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 97161733
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3S)-N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39354463
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39351137
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 53025152) is N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is BTUQRVUMQNDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16-5-3-6-17(13-16)21-9-11-23(28-27-21)29-12-4-7-18(15-29)24(30)26-19-8-10-22(31-2)20(25)14-19/h3,5-6,8-11,13-14,18H,4,7,12,15H2,1-2H3,(H,26,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53025152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).