6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide

C21H26N4O3 — CID 46464028

IUPAC6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)ccc1=O
InChIInChI=1S/C21H26N4O3/c1-2-11-25-19(26)10-9-18(23-25)20(27)22-15-16-7-6-8-17(14-16)21(28)24-12-4-3-5-13-24/h6-10,14H,2-5,11-13,15H2,1H3,(H,22,27)
InChIKeyXSHDMZBSOSLRAI-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.21
Rot. Bonds6

About 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide

6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide (PubChem CID 46464028) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
PubChem CID46464028
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)ccc1=O
InChIInChI=1S/C21H26N4O3/c1-2-11-25-19(26)10-9-18(23-25)20(27)22-15-16-7-6-8-17(14-16)21(28)24-12-4-3-5-13-24/h6-10,14H,2-5,11-13,15H2,1H3,(H,22,27)
InChIKeyXSHDMZBSOSLRAI-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
CID 55381555
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide (CID 46464028) is 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)ccc1=O.
What is the InChIKey of 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide?
The InChIKey is XSHDMZBSOSLRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-11-25-19(26)10-9-18(23-25)20(27)22-15-16-7-6-8-17(14-16)21(28)24-12-4-3-5-13-24/h6-10,14H,2-5,11-13,15H2,1H3,(H,22,27).
What are the key properties of 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide?
6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 46464028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).