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

C19H17FN6O3 — CID 44553953

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1nnco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C19H17FN6O3/c20-15-3-1-13(2-4-15)11-25-7-8-26(19(25)28)16-9-14(5-6-21-16)18(27)22-10-17-24-23-12-29-17/h1-6,9,12H,7-8,10-11H2,(H,22,27)
InChIKeyNRDKLARCPAOYDK-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.98
Rot. Bonds6

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

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 44553953) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide
PubChem CID44553953
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1nnco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C19H17FN6O3/c20-15-3-1-13(2-4-15)11-25-7-8-26(19(25)28)16-9-14(5-6-21-16)18(27)22-10-17-24-23-12-29-17/h1-6,9,12H,7-8,10-11H2,(H,22,27)
InChIKeyNRDKLARCPAOYDK-UHFFFAOYSA-N
XLogP1.98
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide (CID 44553953) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide is O=C(NCc1nnco1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is NRDKLARCPAOYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c20-15-3-1-13(2-4-15)11-25-7-8-26(19(25)28)16-9-14(5-6-21-16)18(27)22-10-17-24-23-12-29-17/h1-6,9,12H,7-8,10-11H2,(H,22,27).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1,3,4-oxadiazol-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 44553953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).