[2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate

C15H14N2O3 — CID 1088745

IUPAC[2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccn2)c1
InChIInChI=1S/C15H14N2O3/c1-11-5-4-6-12(9-11)17-14(18)10-20-15(19)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyZCLLJJYIPBPCOM-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.19
Rot. Bonds4

About [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088745) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088745
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccn2)c1
InChIInChI=1S/C15H14N2O3/c1-11-5-4-6-12(9-11)17-14(18)10-20-15(19)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyZCLLJJYIPBPCOM-UHFFFAOYSA-N
XLogP2.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 1088745) is [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate is Cc1cccc(NC(=O)COC(=O)c2ccccn2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is ZCLLJJYIPBPCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-5-4-6-12(9-11)17-14(18)10-20-15(19)13-7-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 1088745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).