[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate

C19H20FN3O4 — CID 7866537

IUPAC[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1ccccn1
InChIInChI=1S/C19H20FN3O4/c1-2-23(12-17(24)22-11-14-6-8-15(20)9-7-14)18(25)13-27-19(26)16-5-3-4-10-21-16/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyMGNSMHRGVCFSNB-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.54
Rot. Bonds8

About [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate

[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7866537) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7866537
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1ccccn1
InChIInChI=1S/C19H20FN3O4/c1-2-23(12-17(24)22-11-14-6-8-15(20)9-7-14)18(25)13-27-19(26)16-5-3-4-10-21-16/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyMGNSMHRGVCFSNB-UHFFFAOYSA-N
XLogP1.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate (CID 7866537) is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1ccccn1.
What is the InChIKey of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is MGNSMHRGVCFSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-2-23(12-17(24)22-11-14-6-8-15(20)9-7-14)18(25)13-27-19(26)16-5-3-4-10-21-16/h3-10H,2,11-13H2,1H3,(H,22,24).
What are the key properties of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 373.38 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7866537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).