[2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate

C16H16N2O3 — CID 2930867

IUPAC[2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1cccc(C)n1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-7-6-10-14(17-11)18-16(20)15(21-12(2)19)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,17,18,20)
InChIKeyGGQDPZOOTQVLHO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.63
Rot. Bonds4

About [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate

[2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 2930867) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate
PubChem CID2930867
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name[2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1cccc(C)n1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-7-6-10-14(17-11)18-16(20)15(21-12(2)19)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,17,18,20)
InChIKeyGGQDPZOOTQVLHO-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate (CID 2930867) is [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)Nc1cccc(C)n1)c1ccccc1.
What is the InChIKey of [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is GGQDPZOOTQVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-7-6-10-14(17-11)18-16(20)15(21-12(2)19)13-8-4-3-5-9-13/h3-10,15H,1-2H3,(H,17,18,20).
What are the key properties of [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate?
[2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 284.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-2-pyridinyl)amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 2930867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).