(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C21H28N4O — CID 93055886

IUPAC(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3cccc(C)c3)nn2)C1
InChIInChI=1S/C21H28N4O/c1-3-4-12-22-21(26)18-9-6-13-25(15-18)20-11-10-19(23-24-20)17-8-5-7-16(2)14-17/h5,7-8,10-11,14,18H,3-4,6,9,12-13,15H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyHQGPOLQWPDKCHM-GOSISDBHSA-N
MW352.48 g/mol
LogP3.58
Rot. Bonds6

About (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 93055886) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID93055886
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3cccc(C)c3)nn2)C1
InChIInChI=1S/C21H28N4O/c1-3-4-12-22-21(26)18-9-6-13-25(15-18)20-11-10-19(23-24-20)17-8-5-7-16(2)14-17/h5,7-8,10-11,14,18H,3-4,6,9,12-13,15H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyHQGPOLQWPDKCHM-GOSISDBHSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 53025138
(3S)-1-[6-(3-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055910
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055955
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53056955
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055758

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 93055886) is (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is CCCCNC(=O)[C@@H]1CCCN(c2ccc(-c3cccc(C)c3)nn2)C1.
What is the InChIKey of (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is HQGPOLQWPDKCHM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-4-12-22-21(26)18-9-6-13-25(15-18)20-11-10-19(23-24-20)17-8-5-7-16(2)14-17/h5,7-8,10-11,14,18H,3-4,6,9,12-13,15H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93055886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).