1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C27H26N4O — CID 121070694

IUPAC1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C27H26N4O/c1-19-8-2-4-12-22(19)25-15-16-26(30-29-25)31-17-7-11-21(18-31)27(32)28-24-14-6-10-20-9-3-5-13-23(20)24/h2-6,8-10,12-16,21H,7,11,17-18H2,1H3,(H,28,32)
InChIKeyUJSGPDZBJUXJMB-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.46
Rot. Bonds4

About 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide

1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 121070694) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID121070694
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C27H26N4O/c1-19-8-2-4-12-22(19)25-15-16-26(30-29-25)31-17-7-11-21(18-31)27(32)28-24-14-6-10-20-9-3-5-13-23(20)24/h2-6,8-10,12-16,21H,7,11,17-18H2,1H3,(H,28,32)
InChIKeyUJSGPDZBJUXJMB-UHFFFAOYSA-N
XLogP5.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
N-(2,4-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070657
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070715
N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070716
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026
N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025005

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 121070694) is 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide is Cc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)nn1.
What is the InChIKey of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is UJSGPDZBJUXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-19-8-2-4-12-22(19)25-15-16-26(30-29-25)31-17-7-11-21(18-31)27(32)28-24-14-6-10-20-9-3-5-13-23(20)24/h2-6,8-10,12-16,21H,7,11,17-18H2,1H3,(H,28,32).
What are the key properties of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 121070694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).