N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide

C25H27N5O4 — CID 55809707

IUPACN-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)C2)nc1
InChIInChI=1S/C25H27N5O4/c1-18-9-11-22(26-16-18)27-24(32)19-6-5-13-29(17-19)25(33)21-10-12-23(31)30(28-21)14-15-34-20-7-3-2-4-8-20/h2-4,7-12,16,19H,5-6,13-15,17H2,1H3,(H,26,27,32)
InChIKeyXZZWNBLQGFOMII-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.52
Rot. Bonds7

About N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide

N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 55809707) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide
PubChem CID55809707
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)C2)nc1
InChIInChI=1S/C25H27N5O4/c1-18-9-11-22(26-16-18)27-24(32)19-6-5-13-29(17-19)25(33)21-10-12-23(31)30(28-21)14-15-34-20-7-3-2-4-8-20/h2-4,7-12,16,19H,5-6,13-15,17H2,1H3,(H,26,27,32)
InChIKeyXZZWNBLQGFOMII-UHFFFAOYSA-N
XLogP2.52
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
CID 94606951
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55808746
1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855211
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809801
(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94667048
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide (CID 55809707) is N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(=O)n(CCOc4ccccc4)n3)C2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is XZZWNBLQGFOMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-18-9-11-22(26-16-18)27-24(32)19-6-5-13-29(17-19)25(33)21-10-12-23(31)30(28-21)14-15-34-20-7-3-2-4-8-20/h2-4,7-12,16,19H,5-6,13-15,17H2,1H3,(H,26,27,32).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55809707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).