6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide

C14H16N4O2 — CID 102902916

IUPAC6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(OCCc2ccccc2N)nn1
InChIInChI=1S/C14H16N4O2/c1-16-14(19)12-6-7-13(18-17-12)20-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9,15H2,1H3,(H,16,19)
InChIKeyPONABMPLSKHPBR-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.04
Rot. Bonds5

About 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide

6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide (PubChem CID 102902916) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
PubChem CID102902916
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(OCCc2ccccc2N)nn1
InChIInChI=1S/C14H16N4O2/c1-16-14(19)12-6-7-13(18-17-12)20-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9,15H2,1H3,(H,16,19)
InChIKeyPONABMPLSKHPBR-UHFFFAOYSA-N
XLogP1.04
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
N-methyl-6-pyridin-2-ylpyridazine-3-carboxamide
CID 71251239
2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide
CID 102902655
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
6-iodo-N-methylpyridazine-3-carboxamide
CID 170981048
6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102902822
2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
CID 102902966
N-methyl-6-[4-(methylaminomethyl)phenoxy]pyridazine-3-carboxamide
CID 106486781
N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
CID 90509671
2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
CID 62496408
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
2-(2-pyrido[2,3-b]pyrazin-6-yloxyethyl)aniline
CID 102902912

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide (CID 102902916) is 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(OCCc2ccccc2N)nn1.
What is the InChIKey of 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The InChIKey is PONABMPLSKHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-16-14(19)12-6-7-13(18-17-12)20-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9,15H2,1H3,(H,16,19).
What are the key properties of 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminophenyl)ethoxy]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 102902916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).