[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate

C21H18N2O4 — CID 9414010

IUPAC[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate
SMILESCc1ccc(Oc2ccc(NC(=O)COC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C21H18N2O4/c1-15-4-8-18(9-5-15)27-19-10-6-17(7-11-19)23-20(24)14-26-21(25)16-3-2-12-22-13-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyZFPCRDIGAAQOAQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.98
Rot. Bonds6

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

[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9414010) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9414010
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate
SMILESCc1ccc(Oc2ccc(NC(=O)COC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C21H18N2O4/c1-15-4-8-18(9-5-15)27-19-10-6-17(7-11-19)23-20(24)14-26-21(25)16-3-2-12-22-13-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyZFPCRDIGAAQOAQ-UHFFFAOYSA-N
XLogP3.98
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017801
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677351
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 4-aminobenzoate
CID 7781322
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 5180290
[2-(3-bromoanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413271
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413832
[2-(4-methylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589725
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate (CID 9414010) is [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate is Cc1ccc(Oc2ccc(NC(=O)COC(=O)c3cccnc3)cc2)cc1.
What is the InChIKey of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is ZFPCRDIGAAQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-15-4-8-18(9-5-15)27-19-10-6-17(7-11-19)23-20(24)14-26-21(25)16-3-2-12-22-13-16/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate?
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9414010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).