N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide

C17H13F3N4O3 — CID 4243571

IUPACN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccnc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)16(22-13(25)12-7-4-8-21-9-12)14(26)24(15(27)23-16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,22,25)(H,23,27)
InChIKeyXIVWBRCSNZCCJC-UHFFFAOYSA-N
MW378.31 g/mol
LogP1.82
Rot. Bonds4

About N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (PubChem CID 4243571) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
PubChem CID4243571
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccnc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)16(22-13(25)12-7-4-8-21-9-12)14(26)24(15(27)23-16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,22,25)(H,23,27)
InChIKeyXIVWBRCSNZCCJC-UHFFFAOYSA-N
XLogP1.82
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (CID 4243571) is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccnc1.
What is the InChIKey of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XIVWBRCSNZCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)16(22-13(25)12-7-4-8-21-9-12)14(26)24(15(27)23-16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,22,25)(H,23,27).
What are the key properties of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 4243571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).