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

C16H10F4N4O3 — CID 2001470

IUPACN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1ccncc1
InChIInChI=1S/C16H10F4N4O3/c17-10-1-3-11(4-2-10)24-13(26)15(16(18,19)20,23-14(24)27)22-12(25)9-5-7-21-8-6-9/h1-8H,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyOQQTVPDDGRJIPU-HNNXBMFYSA-N
MW382.27 g/mol
LogP1.97
Rot. Bonds3

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

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (PubChem CID 2001470) has the molecular formula C16H10F4N4O3 and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
PubChem CID2001470
Molecular FormulaC16H10F4N4O3
Molecular Weight382.27 g/mol
Exact Mass382.07
IUPAC NameN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1ccncc1
InChIInChI=1S/C16H10F4N4O3/c17-10-1-3-11(4-2-10)24-13(26)15(16(18,19)20,23-14(24)27)22-12(25)9-5-7-21-8-6-9/h1-8H,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyOQQTVPDDGRJIPU-HNNXBMFYSA-N
XLogP1.97
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 51.97
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-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (CID 2001470) is N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O)c1ccncc1.
What is the InChIKey of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The InChIKey is OQQTVPDDGRJIPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H10F4N4O3/c17-10-1-3-11(4-2-10)24-13(26)15(16(18,19)20,23-14(24)27)22-12(25)9-5-7-21-8-6-9/h1-8H,(H,22,25)(H,23,27)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 2001470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).