4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide

C25H23F3N6O3 — CID 58439948

IUPAC4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCN1C(=O)N(c2ccc(Cc3cc(NCc4c(F)ccc(F)c4F)c(C(N)=O)cn3)nc2)C(=O)C1(C)C
InChIInChI=1S/C25H23F3N6O3/c1-25(2)23(36)34(24(37)33(25)3)15-5-4-13(30-10-15)8-14-9-20(17(12-31-14)22(29)35)32-11-16-18(26)6-7-19(27)21(16)28/h4-7,9-10,12H,8,11H2,1-3H3,(H2,29,35)(H,31,32)
InChIKeyRUENJEOSJVXTAW-UHFFFAOYSA-N
MW512.49 g/mol
LogP3.37
Rot. Bonds7

About 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide

4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 58439948) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID58439948
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCN1C(=O)N(c2ccc(Cc3cc(NCc4c(F)ccc(F)c4F)c(C(N)=O)cn3)nc2)C(=O)C1(C)C
InChIInChI=1S/C25H23F3N6O3/c1-25(2)23(36)34(24(37)33(25)3)15-5-4-13(30-10-15)8-14-9-20(17(12-31-14)22(29)35)32-11-16-18(26)6-7-19(27)21(16)28/h4-7,9-10,12H,8,11H2,1-3H3,(H2,29,35)(H,31,32)
InChIKeyRUENJEOSJVXTAW-UHFFFAOYSA-N
XLogP3.37
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide (CID 58439948) is 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide is CN1C(=O)N(c2ccc(Cc3cc(NCc4c(F)ccc(F)c4F)c(C(N)=O)cn3)nc2)C(=O)C1(C)C.
What is the InChIKey of 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is RUENJEOSJVXTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-25(2)23(36)34(24(37)33(25)3)15-5-4-13(30-10-15)8-14-9-20(17(12-31-14)22(29)35)32-11-16-18(26)6-7-19(27)21(16)28/h4-7,9-10,12H,8,11H2,1-3H3,(H2,29,35)(H,31,32).
What are the key properties of 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,6-trifluorophenyl)methylamino]-6-[[5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58439948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).