1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide

C21H26N4O3 — CID 35275786

IUPAC1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1=O
InChIInChI=1S/C21H26N4O3/c1-2-3-15-25-19(26)12-11-18(23-25)20(27)22-17-10-6-5-9-16(17)21(28)24-13-7-4-8-14-24/h5-6,9-12H,2-4,7-8,13-15H2,1H3,(H,22,27)
InChIKeyORQDPIGBJRDPCE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.92
Rot. Bonds6

About 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide (PubChem CID 35275786) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
PubChem CID35275786
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1=O
InChIInChI=1S/C21H26N4O3/c1-2-3-15-25-19(26)12-11-18(23-25)20(27)22-17-10-6-5-9-16(17)21(28)24-13-7-4-8-14-24/h5-6,9-12H,2-4,7-8,13-15H2,1H3,(H,22,27)
InChIKeyORQDPIGBJRDPCE-UHFFFAOYSA-N
XLogP2.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 47025477
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 34757785
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide
CID 37275934

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide (CID 35275786) is 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is ORQDPIGBJRDPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-3-15-25-19(26)12-11-18(23-25)20(27)22-17-10-6-5-9-16(17)21(28)24-13-7-4-8-14-24/h5-6,9-12H,2-4,7-8,13-15H2,1H3,(H,22,27).
What are the key properties of 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 35275786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).