4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

C17H14F3N3O3 — CID 110622852

IUPAC4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESO=C(CCC(=O)c1cccnc1)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)23-13-5-3-12(4-6-13)22-15(25)8-7-14(24)11-2-1-9-21-10-11/h1-6,9-10H,7-8H2,(H,22,25)(H,23,26)
InChIKeyRAFDDGZSOYPGKH-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.18
Rot. Bonds6

About 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (PubChem CID 110622852) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
PubChem CID110622852
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESO=C(CCC(=O)c1cccnc1)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)23-13-5-3-12(4-6-13)22-15(25)8-7-14(24)11-2-1-9-21-10-11/h1-6,9-10H,7-8H2,(H,22,25)(H,23,26)
InChIKeyRAFDDGZSOYPGKH-UHFFFAOYSA-N
XLogP3.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110620858
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110425405
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623032
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6091313
N-[3-(2-methylpropyl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110612663
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-oxo-N,4-diphenylbutanamide
CID 825307
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
2,2,3,3-tetrafluoropropyl 4-oxo-4-pyridin-3-ylbutanoate
CID 126834056
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The IUPAC name of 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (CID 110622852) is 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The canonical SMILES for 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is O=C(CCC(=O)c1cccnc1)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The InChIKey is RAFDDGZSOYPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)23-13-5-3-12(4-6-13)22-15(25)8-7-14(24)11-2-1-9-21-10-11/h1-6,9-10H,7-8H2,(H,22,25)(H,23,26).
What are the key properties of 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide has a molecular weight of 365.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-pyridin-3-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 110622852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).