[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C18H17FN2O4 — CID 9344673

IUPAC[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc[nH]c1=O
InChIInChI=1S/C18H17FN2O4/c19-15-6-2-1-4-12(15)10-21(13-7-8-13)16(22)11-25-18(24)14-5-3-9-20-17(14)23/h1-6,9,13H,7-8,10-11H2,(H,20,23)
InChIKeyALOPMPDPNUBNMX-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.86
Rot. Bonds6

About [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 9344673) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID9344673
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc[nH]c1=O
InChIInChI=1S/C18H17FN2O4/c19-15-6-2-1-4-12(15)10-21(13-7-8-13)16(22)11-25-18(24)14-5-3-9-20-17(14)23/h1-6,9,13H,7-8,10-11H2,(H,20,23)
InChIKeyALOPMPDPNUBNMX-UHFFFAOYSA-N
XLogP1.86
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 9344673) is [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(OCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc[nH]c1=O.
What is the InChIKey of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ALOPMPDPNUBNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-15-6-2-1-4-12(15)10-21(13-7-8-13)16(22)11-25-18(24)14-5-3-9-20-17(14)23/h1-6,9,13H,7-8,10-11H2,(H,20,23).
What are the key properties of [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 344.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 9344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).