[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate

C24H17FN2O6 — CID 140506704

IUPAC[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
SMILESCCOC(=O)Nc1cc(OC(=O)c2cccnc2)cc(F)c1-c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H17FN2O6/c1-2-31-24(30)27-18-11-15(32-23(29)14-6-5-9-26-13-14)10-17(25)22(18)21-12-19(28)16-7-3-4-8-20(16)33-21/h3-13H,2H2,1H3,(H,27,30)
InChIKeyPZGJZGSEJQQUBG-UHFFFAOYSA-N
MW448.41 g/mol
LogP4.78
Rot. Bonds5

About [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate

[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate (PubChem CID 140506704) has the molecular formula C24H17FN2O6 and a molecular weight of 448.41 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
PubChem CID140506704
Molecular FormulaC24H17FN2O6
Molecular Weight448.41 g/mol
Exact Mass448.11
IUPAC Name[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
SMILESCCOC(=O)Nc1cc(OC(=O)c2cccnc2)cc(F)c1-c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H17FN2O6/c1-2-31-24(30)27-18-11-15(32-23(29)14-6-5-9-26-13-14)10-17(25)22(18)21-12-19(28)16-7-3-4-8-20(16)33-21/h3-13H,2H2,1H3,(H,27,30)
InChIKeyPZGJZGSEJQQUBG-UHFFFAOYSA-N
XLogP4.78
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] 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

[3-(ethoxycarbonylamino)-5-hydroxy-4-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506693
[3-(ethoxycarbonylamino)-4-(4-oxopyrano[3,2-c]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506681
[4-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506848
[4-(ethoxycarbonylamino)-5-(6-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506658
[4-(ethoxycarbonylamino)-5-(8-hydroxy-4-oxochromen-2-yl)-2-pyridinyl] pyridine-3-carboxylate
CID 140506720
ethyl N-[2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123162805
[4-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506652
[4-(5-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506708
[4-(8-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506613
ethyl N-[3-hydroxy-2-(4-oxopyrano[2,3-b]pyridin-2-yl)phenyl]carbamate
CID 123379618
ethyl N-[4-hydroxy-2-(4-oxopyrano[2,3-c]pyridin-2-yl)phenyl]carbamate
CID 123316636
[4-(5,7-dihydroxy-4-oxo-1H-quinolin-2-yl)-3-(ethoxycarbonylamino)phenyl] pyridine-3-carboxylate
CID 140506816

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate?
The IUPAC name of [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate (CID 140506704) is [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate?
The canonical SMILES for [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate is CCOC(=O)Nc1cc(OC(=O)c2cccnc2)cc(F)c1-c1cc(=O)c2ccccc2o1.
What is the InChIKey of [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate?
The InChIKey is PZGJZGSEJQQUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O6/c1-2-31-24(30)27-18-11-15(32-23(29)14-6-5-9-26-13-14)10-17(25)22(18)21-12-19(28)16-7-3-4-8-20(16)33-21/h3-13H,2H2,1H3,(H,27,30).
What are the key properties of [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate?
[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate has a molecular weight of 448.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 140506704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).