ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate

C18H17FN2O3 — CID 68592625

IUPACethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccnc(F)c2)Cc2ccccc2C1
InChIInChI=1S/C18H17FN2O3/c1-2-24-17(23)18(10-13-5-3-4-6-14(13)11-18)21-16(22)12-7-8-20-15(19)9-12/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyHHZSYOUBGILMSZ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 68592625) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID68592625
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Nameethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccnc(F)c2)Cc2ccccc2C1
InChIInChI=1S/C18H17FN2O3/c1-2-24-17(23)18(10-13-5-3-4-6-14(13)11-18)21-16(22)12-7-8-20-15(19)9-12/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyHHZSYOUBGILMSZ-UHFFFAOYSA-N
XLogP2.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate (CID 68592625) is ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2ccnc(F)c2)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is HHZSYOUBGILMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-24-17(23)18(10-13-5-3-4-6-14(13)11-18)21-16(22)12-7-8-20-15(19)9-12/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 328.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluoropyridine-4-carbonyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 68592625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).