2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide

C14H16N4O2 — CID 106833902

IUPAC2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCc2cccnn2)cc1
InChIInChI=1S/C14H16N4O2/c15-14(19)10-20-13-5-3-11(4-6-13)8-16-9-12-2-1-7-17-18-12/h1-7,16H,8-10H2,(H2,15,19)
InChIKeyFXUGLEKCONUZDB-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.63
Rot. Bonds7

About 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide

2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 106833902) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID106833902
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCc2cccnn2)cc1
InChIInChI=1S/C14H16N4O2/c15-14(19)10-20-13-5-3-11(4-6-13)8-16-9-12-2-1-7-17-18-12/h1-7,16H,8-10H2,(H2,15,19)
InChIKeyFXUGLEKCONUZDB-UHFFFAOYSA-N
XLogP0.63
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
CID 106895571
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide
CID 56820849
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
CID 115592036
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895894
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide (CID 106833902) is 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCc2cccnn2)cc1.
What is the InChIKey of 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is FXUGLEKCONUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-14(19)10-20-13-5-3-11(4-6-13)8-16-9-12-2-1-7-17-18-12/h1-7,16H,8-10H2,(H2,15,19).
What are the key properties of 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide?
2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 106833902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).