N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C25H28N4O — CID 53025098

IUPACN-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccccc4C)C3)nn2)cc1
InChIInChI=1S/C25H28N4O/c1-18-9-11-20(12-10-18)23-13-14-24(28-27-23)29-15-5-8-22(17-29)25(30)26-16-21-7-4-3-6-19(21)2/h3-4,6-7,9-14,22H,5,8,15-17H2,1-2H3,(H,26,30)
InChIKeyYIIYNWQFXOODLQ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.29
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 53025098) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID53025098
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccccc4C)C3)nn2)cc1
InChIInChI=1S/C25H28N4O/c1-18-9-11-20(12-10-18)23-13-14-24(28-27-23)29-15-5-8-22(17-29)25(30)26-16-21-7-4-3-6-19(21)2/h3-4,6-7,9-14,22H,5,8,15-17H2,1-2H3,(H,26,30)
InChIKeyYIIYNWQFXOODLQ-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

(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071012
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 53025098) is N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccccc4C)C3)nn2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is YIIYNWQFXOODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-9-11-20(12-10-18)23-13-14-24(28-27-23)29-15-5-8-22(17-29)25(30)26-16-21-7-4-3-6-19(21)2/h3-4,6-7,9-14,22H,5,8,15-17H2,1-2H3,(H,26,30).
What are the key properties of N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-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-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53025098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).