N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C19H24N4O3 — CID 121118430

IUPACN-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(c3ccc(C)nn3)C2)c1
InChIInChI=1S/C19H24N4O3/c1-13-6-9-18(22-21-13)23-10-4-5-14(12-23)19(24)20-16-11-15(25-2)7-8-17(16)26-3/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,20,24)
InChIKeyLPSQREQOXGSFSU-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.66
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118430) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118430
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCN(c3ccc(C)nn3)C2)c1
InChIInChI=1S/C19H24N4O3/c1-13-6-9-18(22-21-13)23-10-4-5-14(12-23)19(24)20-16-11-15(25-2)7-8-17(16)26-3/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,20,24)
InChIKeyLPSQREQOXGSFSU-UHFFFAOYSA-N
XLogP2.66
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118520
(3R)-N-(2,5-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39313049
(3S)-N-(2,4-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39315199
1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 121118622
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90514804
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118688
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070721
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53203325
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569
N-(2-methyl-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118614

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118430) is N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCN(c3ccc(C)nn3)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is LPSQREQOXGSFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-6-9-18(22-21-13)23-10-4-5-14(12-23)19(24)20-16-11-15(25-2)7-8-17(16)26-3/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,20,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).