6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide

About 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide

6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 155699819) has the molecular formula C21H24F3N3O5 and a molecular weight of 455.43 g/mol. Its IUPAC name is 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID	155699819
Molecular Formula	C21H24F3N3O5
Molecular Weight	455.43 g/mol
Exact Mass	455.17
IUPAC Name	6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILES	CC[C@H](O)CN(C)CCn1cc(C(=O)NCc2c(F)cc(F)cc2F)c(=O)c(O)c1C=O
InChI	InChI=1S/C21H24F3N3O5/c1-3-13(29)9-26(2)4-5-27-10-15(19(30)20(31)18(27)11-28)21(32)25-8-14-16(23)6-12(22)7-17(14)24/h6-7,10-11,13,29,31H,3-5,8-9H2,1-2H3,(H,25,32)/t13-/m0/s1
InChIKey	ZUJLTWYXJZEFNO-ZDUSSCGKSA-N
XLogP	1.42
TPSA	111.87 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.43
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 155699819) is 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide is CC[C@H](O)CN(C)CCn1cc(C(=O)NCc2c(F)cc(F)cc2F)c(=O)c(O)c1C=O.

What is the InChIKey of 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide?

The InChIKey is ZUJLTWYXJZEFNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24F3N3O5/c1-3-13(29)9-26(2)4-5-27-10-15(19(30)20(31)18(27)11-28)21(32)25-8-14-16(23)6-12(22)7-17(14)24/h6-7,10-11,13,29,31H,3-5,8-9H2,1-2H3,(H,25,32)/t13-/m0/s1.

What are the key properties of 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide?

6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 455.43 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-formyl-5-hydroxy-1-[2-[[(2S)-2-hydroxybutyl]-methylamino]ethyl]-4-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155699819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).