[2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate

C15H14N2O3 — CID 847689

IUPAC[2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H14N2O3/c1-11-4-6-13(7-5-11)17-14(18)10-20-15(19)12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyXRRCJWDAUPRMSP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.19
Rot. Bonds4

About [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate

[2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 847689) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID847689
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H14N2O3/c1-11-4-6-13(7-5-11)17-14(18)10-20-15(19)12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyXRRCJWDAUPRMSP-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-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate (CID 847689) is [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cccnc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is XRRCJWDAUPRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-4-6-13(7-5-11)17-14(18)10-20-15(19)12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] pyridine-3-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-(4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 847689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).