1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone

C16H19N3O — CID 104528528

IUPAC1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
SMILESCCN(Cc1ccncc1)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C16H19N3O/c1-3-19(11-13-6-8-18-9-7-13)14-4-5-15(12(2)20)16(17)10-14/h4-10H,3,11,17H2,1-2H3
InChIKeyGUNGCYDUACADTD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone

1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone (PubChem CID 104528528) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
PubChem CID104528528
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
SMILESCCN(Cc1ccncc1)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C16H19N3O/c1-3-19(11-13-6-8-18-9-7-13)14-4-5-15(12(2)20)16(17)10-14/h4-10H,3,11,17H2,1-2H3
InChIKeyGUNGCYDUACADTD-UHFFFAOYSA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone (CID 104528528) is 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone is CCN(Cc1ccncc1)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone?
The InChIKey is GUNGCYDUACADTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(11-13-6-8-18-9-7-13)14-4-5-15(12(2)20)16(17)10-14/h4-10H,3,11,17H2,1-2H3.
What are the key properties of 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone?
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone has a molecular weight of 269.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 104528528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).