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

C25H28N4O — CID 53025243

IUPACN-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c1
InChIInChI=1S/C25H28N4O/c1-18-5-3-7-20(15-18)17-26-25(30)21-11-13-29(14-12-21)24-10-9-23(27-28-24)22-8-4-6-19(2)16-22/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,26,30)
InChIKeyCHCKBBNCMQSENO-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.29
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53025243) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53025243
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c1
InChIInChI=1S/C25H28N4O/c1-18-5-3-7-20(15-18)17-26-25(30)21-11-13-29(14-12-21)24-10-9-23(27-28-24)22-8-4-6-19(2)16-22/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,26,30)
InChIKeyCHCKBBNCMQSENO-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025183
N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025223
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
N-[(1R)-1-(4-methylphenyl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 93056018
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062124
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 35440215

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 53025243) is N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is CHCKBBNCMQSENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-5-3-7-20(15-18)17-26-25(30)21-11-13-29(14-12-21)24-10-9-23(27-28-24)22-8-4-6-19(2)16-22/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,26,30).
What are the key properties of N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53025243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).