N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

C18H21N5O3 — CID 71709561

IUPACN-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCCC(C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1
InChIInChI=1S/C18H21N5O3/c1-26-16-9-8-15(21-22-16)23-10-2-3-13(11-23)18(25)20-14-6-4-12(5-7-14)17(19)24/h4-9,13H,2-3,10-11H2,1H3,(H2,19,24)(H,20,25)
InChIKeySOSGZEYDUUBRPD-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.44
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 71709561) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
PubChem CID71709561
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCCC(C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1
InChIInChI=1S/C18H21N5O3/c1-26-16-9-8-15(21-22-16)23-10-2-3-13(11-23)18(25)20-14-6-4-12(5-7-14)17(19)24/h4-9,13H,2-3,10-11H2,1H3,(H2,19,24)(H,20,25)
InChIKeySOSGZEYDUUBRPD-UHFFFAOYSA-N
XLogP1.44
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866208
N-(4-acetylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71708418
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
ethyl 4-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121070672
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (CID 71709561) is N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(N2CCCC(C(=O)Nc3ccc(C(N)=O)cc3)C2)nn1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is SOSGZEYDUUBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-26-16-9-8-15(21-22-16)23-10-2-3-13(11-23)18(25)20-14-6-4-12(5-7-14)17(19)24/h4-9,13H,2-3,10-11H2,1H3,(H2,19,24)(H,20,25).
What are the key properties of N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71709561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).