3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide

C22H18FN5O2 — CID 138714499

IUPAC3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3noc(C)n3)cc(-c3ncccc3F)c2)nc1
InChIInChI=1S/C22H18FN5O2/c1-13-5-6-19(25-11-13)15-8-16(21-18(23)4-3-7-24-21)10-17(9-15)22(29)26-12-20-27-14(2)30-28-20/h3-11H,12H2,1-2H3,(H,26,29)
InChIKeyTUMCAKTZSRSBFL-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.88
Rot. Bonds5

About 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide

3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 138714499) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID138714499
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3noc(C)n3)cc(-c3ncccc3F)c2)nc1
InChIInChI=1S/C22H18FN5O2/c1-13-5-6-19(25-11-13)15-8-16(21-18(23)4-3-7-24-21)10-17(9-15)22(29)26-12-20-27-14(2)30-28-20/h3-11H,12H2,1-2H3,(H,26,29)
InChIKeyTUMCAKTZSRSBFL-UHFFFAOYSA-N
XLogP3.88
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (CID 138714499) is 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(C(=O)NCc3noc(C)n3)cc(-c3ncccc3F)c2)nc1.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is TUMCAKTZSRSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-13-5-6-19(25-11-13)15-8-16(21-18(23)4-3-7-24-21)10-17(9-15)22(29)26-12-20-27-14(2)30-28-20/h3-11H,12H2,1-2H3,(H,26,29).
What are the key properties of 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 403.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 138714499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).