2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid

C16H18N2O3 — CID 82899168

IUPAC2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
SMILESCc1ccc(N(CCn2ccccc2=O)CC(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-13-5-7-14(8-6-13)18(12-16(20)21)11-10-17-9-3-2-4-15(17)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyRVMPRQVTNOLOCH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.75
Rot. Bonds6

About 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid

2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid (PubChem CID 82899168) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
PubChem CID82899168
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
SMILESCc1ccc(N(CCn2ccccc2=O)CC(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-13-5-7-14(8-6-13)18(12-16(20)21)11-10-17-9-3-2-4-15(17)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyRVMPRQVTNOLOCH-UHFFFAOYSA-N
XLogP1.75
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
The IUPAC name of 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid (CID 82899168) is 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid is Cc1ccc(N(CCn2ccccc2=O)CC(=O)O)cc1.
What is the InChIKey of 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
The InChIKey is RVMPRQVTNOLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-13-5-7-14(8-6-13)18(12-16(20)21)11-10-17-9-3-2-4-15(17)19/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid is sourced from PubChem (CID 82899168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).