4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide

C18H17F3N4O3 — CID 4784693

IUPAC4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(N2CCOCC2)ccn1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N4O3/c19-12-1-2-13(17(21)16(12)20)24-15(26)10-23-18(27)14-9-11(3-4-22-14)25-5-7-28-8-6-25/h1-4,9H,5-8,10H2,(H,23,27)(H,24,26)
InChIKeyTXEONXYBFZBMQU-UHFFFAOYSA-N
MW394.35 g/mol
LogP1.70
Rot. Bonds5

About 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide

4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide (PubChem CID 4784693) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide
PubChem CID4784693
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(N2CCOCC2)ccn1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N4O3/c19-12-1-2-13(17(21)16(12)20)24-15(26)10-23-18(27)14-9-11(3-4-22-14)25-5-7-28-8-6-25/h1-4,9H,5-8,10H2,(H,23,27)(H,24,26)
InChIKeyTXEONXYBFZBMQU-UHFFFAOYSA-N
XLogP1.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide (CID 4784693) is 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1cc(N2CCOCC2)ccn1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide?
The InChIKey is TXEONXYBFZBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c19-12-1-2-13(17(21)16(12)20)24-15(26)10-23-18(27)14-9-11(3-4-22-14)25-5-7-28-8-6-25/h1-4,9H,5-8,10H2,(H,23,27)(H,24,26).
What are the key properties of 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide?
4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 4784693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).