N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C18H21N5O4 — CID 121118520

IUPACN-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C18H21N5O4/c1-12-5-8-17(21-20-12)22-9-3-4-13(11-22)18(24)19-15-10-14(23(25)26)6-7-16(15)27-2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,24)
InChIKeyLZNRRAVJQXPILB-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.56
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118520) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118520
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C18H21N5O4/c1-12-5-8-17(21-20-12)22-9-3-4-13(11-22)18(24)19-15-10-14(23(25)26)6-7-16(15)27-2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,24)
InChIKeyLZNRRAVJQXPILB-UHFFFAOYSA-N
XLogP2.56
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118614
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-nitrophenyl)piperidine-3-carboxamide
CID 90514827
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-3-carboxamide
CID 121071300
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
CID 30364580
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90514804
N-(2-methyl-4-nitrophenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514403
(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 30354623
1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 121118622

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118520) is N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCN(c2ccc(C)nn2)C1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is LZNRRAVJQXPILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-12-5-8-17(21-20-12)22-9-3-4-13(11-22)18(24)19-15-10-14(23(25)26)6-7-16(15)27-2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).