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

C16H12F3N5O3 — CID 2962165

IUPACN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccncc1
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)15(22-12(25)11-3-6-20-7-4-11)13(26)24(14(27)23-15)9-10-2-1-5-21-8-10/h1-8H,9H2,(H,22,25)(H,23,27)
InChIKeyGOAVBTHFWQVVQW-UHFFFAOYSA-N
MW379.30 g/mol
LogP1.22
Rot. Bonds4

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

N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (PubChem CID 2962165) has the molecular formula C16H12F3N5O3 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
PubChem CID2962165
Molecular FormulaC16H12F3N5O3
Molecular Weight379.30 g/mol
Exact Mass379.09
IUPAC NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccncc1
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)15(22-12(25)11-3-6-20-7-4-11)13(26)24(14(27)23-15)9-10-2-1-5-21-8-10/h1-8H,9H2,(H,22,25)(H,23,27)
InChIKeyGOAVBTHFWQVVQW-UHFFFAOYSA-N
XLogP1.22
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 51.22
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-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (CID 2962165) is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccncc1.
What is the InChIKey of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The InChIKey is GOAVBTHFWQVVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3/c17-16(18,19)15(22-12(25)11-3-6-20-7-4-11)13(26)24(14(27)23-15)9-10-2-1-5-21-8-10/h1-8H,9H2,(H,22,25)(H,23,27).
What are the key properties of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 2962165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).