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

C17H13F3N4O3 — CID 7044627

IUPACN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@]1(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)/t16-/m0/s1
InChIKeyXIVWBRCSNZCCJC-INIZCTEOSA-N
MW378.31 g/mol
LogP1.82
Rot. Bonds4

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

N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (PubChem CID 7044627) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
PubChem CID7044627
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC NameN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@]1(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)/t16-/m0/s1
InChIKeyXIVWBRCSNZCCJC-INIZCTEOSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
CID 41064433
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
N-[(4S)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 41062810
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 2220199
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341
N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 2217039
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
CID 3721563
tert-butyl N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
CID 97489697
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (CID 7044627) is N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1cccnc1.
What is the InChIKey of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XIVWBRCSNZCCJC-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
N-[(4S)-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-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 7044627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).