5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide

C20H21FN4O3 — CID 46195075

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(C(C)C)c2)n1
InChIInChI=1S/C20H21FN4O3/c1-11(2)25-10-15(18(26)22-12(3)19-23-13(4)24-28-19)9-17(20(25)27)14-5-7-16(21)8-6-14/h5-12H,1-4H3,(H,22,26)/t12-/m1/s1
InChIKeyVRBZCZWFYJKBPB-GFCCVEGCSA-N
MW384.41 g/mol
LogP3.42
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide

5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 46195075) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID46195075
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(C(C)C)c2)n1
InChIInChI=1S/C20H21FN4O3/c1-11(2)25-10-15(18(26)22-12(3)19-23-13(4)24-28-19)9-17(20(25)27)14-5-7-16(21)8-6-14/h5-12H,1-4H3,(H,22,26)/t12-/m1/s1
InChIKeyVRBZCZWFYJKBPB-GFCCVEGCSA-N
XLogP3.42
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 46195075) is 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(C(C)C)c2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is VRBZCZWFYJKBPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11(2)25-10-15(18(26)22-12(3)19-23-13(4)24-28-19)9-17(20(25)27)14-5-7-16(21)8-6-14/h5-12H,1-4H3,(H,22,26)/t12-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).