1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C24H25ClN4O2 — CID 133356433

IUPAC1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-17-7-9-18(10-8-17)15-26-23(30)19-11-13-28(14-12-19)21-16-27-29(24(31)22(21)25)20-5-3-2-4-6-20/h2-10,16,19H,11-15H2,1H3,(H,26,30)
InChIKeyQZPXFIDQHGDPOK-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.73
Rot. Bonds5

About 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133356433) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133356433
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-17-7-9-18(10-8-17)15-26-23(30)19-11-13-28(14-12-19)21-16-27-29(24(31)22(21)25)20-5-3-2-4-6-20/h2-10,16,19H,11-15H2,1H3,(H,26,30)
InChIKeyQZPXFIDQHGDPOK-UHFFFAOYSA-N
XLogP3.73
TPSA67.23 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
4-chloro-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one
CID 9172516
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95115799
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
N-tert-butyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
CID 9338030
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133356433) is 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1.
What is the InChIKey of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QZPXFIDQHGDPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-17-7-9-18(10-8-17)15-26-23(30)19-11-13-28(14-12-19)21-16-27-29(24(31)22(21)25)20-5-3-2-4-6-20/h2-10,16,19H,11-15H2,1H3,(H,26,30).
What are the key properties of 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133356433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).