6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide

C14H16N4O2 — CID 62179050

IUPAC6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCOc2ccccc2)nn1
InChIInChI=1S/C14H16N4O2/c1-15-13-8-7-12(17-18-13)14(19)16-9-10-20-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyYPDKLLXTFGSHIJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.33
Rot. Bonds6

About 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide

6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 62179050) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID62179050
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCOc2ccccc2)nn1
InChIInChI=1S/C14H16N4O2/c1-15-13-8-7-12(17-18-13)14(19)16-9-10-20-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyYPDKLLXTFGSHIJ-UHFFFAOYSA-N
XLogP1.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 130504947
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679
N-methyl-6-(2-pyridin-3-yloxyethylamino)pyridazine-3-carboxamide
CID 133339567
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124675
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 62179050) is 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide is CNc1ccc(C(=O)NCCOc2ccccc2)nn1.
What is the InChIKey of 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is YPDKLLXTFGSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-15-13-8-7-12(17-18-13)14(19)16-9-10-20-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62179050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).