N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide

C15H11F3N4O4 — CID 7012722

IUPACN-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1ccncc1
InChIInChI=1S/C15H11F3N4O4/c16-15(17,18)14(20-11(23)9-3-5-19-6-4-9)12(24)22(13(25)21-14)8-10-2-1-7-26-10/h1-7H,8H2,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyKARBJVOMJQCTIZ-CQSZACIVSA-N
MW368.27 g/mol
LogP1.41
Rot. Bonds4

About N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide

N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (PubChem CID 7012722) has the molecular formula C15H11F3N4O4 and a molecular weight of 368.27 g/mol. Its IUPAC name is N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
PubChem CID7012722
Molecular FormulaC15H11F3N4O4
Molecular Weight368.27 g/mol
Exact Mass368.07
IUPAC NameN-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1ccncc1
InChIInChI=1S/C15H11F3N4O4/c16-15(17,18)14(20-11(23)9-3-5-19-6-4-9)12(24)22(13(25)21-14)8-10-2-1-7-26-10/h1-7H,8H2,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyKARBJVOMJQCTIZ-CQSZACIVSA-N
XLogP1.41
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (CID 7012722) is N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1ccncc1.
What is the InChIKey of N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The InChIKey is KARBJVOMJQCTIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11F3N4O4/c16-15(17,18)14(20-11(23)9-3-5-19-6-4-9)12(24)22(13(25)21-14)8-10-2-1-7-26-10/h1-7H,8H2,(H,20,23)(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 7012722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).