methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate

C15H16N2O2 — CID 62253353

IUPACmethyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-7-6-10-16-14(11)17-13(15(18)19-2)12-8-4-3-5-9-12/h3-10,13H,1-2H3,(H,16,17)
InChIKeyYOWIIOOLOYWDCZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate

methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate (PubChem CID 62253353) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate
PubChem CID62253353
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-7-6-10-16-14(11)17-13(15(18)19-2)12-8-4-3-5-9-12/h3-10,13H,1-2H3,(H,16,17)
InChIKeyYOWIIOOLOYWDCZ-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate (CID 62253353) is methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate is COC(=O)C(Nc1ncccc1C)c1ccccc1.
What is the InChIKey of methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate?
The InChIKey is YOWIIOOLOYWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-7-6-10-16-14(11)17-13(15(18)19-2)12-8-4-3-5-9-12/h3-10,13H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate?
methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate has a molecular weight of 256.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methyl-2-pyridinyl)amino]-2-phenylacetate is sourced from PubChem (CID 62253353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).