1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone

C14H15N3O2 — CID 116602379

IUPAC1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccnc(N)c2)c(N)c1
InChIInChI=1S/C14H15N3O2/c1-19-10-2-3-11(12(15)8-10)13(18)6-9-4-5-17-14(16)7-9/h2-5,7-8H,6,15H2,1H3,(H2,16,17)
InChIKeyYMZRRGGNPSHBGU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone

1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone (PubChem CID 116602379) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
PubChem CID116602379
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccnc(N)c2)c(N)c1
InChIInChI=1S/C14H15N3O2/c1-19-10-2-3-11(12(15)8-10)13(18)6-9-4-5-17-14(16)7-9/h2-5,7-8H,6,15H2,1H3,(H2,16,17)
InChIKeyYMZRRGGNPSHBGU-UHFFFAOYSA-N
XLogP1.68
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.68
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

1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114017886
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116602446
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
hydron;4-methoxypyridin-2-amine
CID 131852579
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone (CID 116602379) is 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone is COc1ccc(C(=O)Cc2ccnc(N)c2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone?
The InChIKey is YMZRRGGNPSHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-10-2-3-11(12(15)8-10)13(18)6-9-4-5-17-14(16)7-9/h2-5,7-8H,6,15H2,1H3,(H2,16,17).
What are the key properties of 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone?
1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone has a molecular weight of 257.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone is sourced from PubChem (CID 116602379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).