2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide

C20H19FN6O3 — CID 44553787

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCC1=NN=C(O1)CNC(=O)C2=CC(=NC=C2)N3CCN(C3=O)CC4=CC=C(C=C4)F
InChIInChI=1S/C20H19FN6O3/c1-13-24-25-18(30-13)11-23-19(28)15-6-7-22-17(10-15)27-9-8-26(20(27)29)12-14-2-4-16(21)5-3-14/h2-7,10H,8-9,11-12H2,1H3,(H,23,28)
InChIKeyRDFNKGUZBYVQDP-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.00
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 44553787) has the molecular formula C20H19FN6O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID44553787
Molecular FormulaC20H19FN6O3
Molecular Weight410.40 g/mol
Exact Mass410.15
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCC1=NN=C(O1)CNC(=O)C2=CC(=NC=C2)N3CCN(C3=O)CC4=CC=C(C=C4)F
InChIInChI=1S/C20H19FN6O3/c1-13-24-25-18(30-13)11-23-19(28)15-6-7-22-17(10-15)27-9-8-26(20(27)29)12-14-2-4-16(21)5-3-14/h2-7,10H,8-9,11-12H2,1H3,(H,23,28)
InChIKeyRDFNKGUZBYVQDP-UHFFFAOYSA-N
XLogP1.00
TPSA104.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity617

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide (CID 44553787) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide is CC1=NN=C(O1)CNC(=O)C2=CC(=NC=C2)N3CCN(C3=O)CC4=CC=C(C=C4)F.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RDFNKGUZBYVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-13-24-25-18(30-13)11-23-19(28)15-6-7-22-17(10-15)27-9-8-26(20(27)29)12-14-2-4-16(21)5-3-14/h2-7,10H,8-9,11-12H2,1H3,(H,23,28).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 44553787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).