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

C22H18FN5O3 — CID 46195217

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-2-ylpyridine-3-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(-c3ccccn3)c2)n1
InChIInChI=1S/C22H18FN5O3/c1-13(21-26-14(2)27-31-21)25-20(29)16-11-18(15-6-8-17(23)9-7-15)22(30)28(12-16)19-5-3-4-10-24-19/h3-13H,1-2H3,(H,25,29)/t13-/m1/s1
InChIKeyKRWCQTCXLSUQQL-CYBMUJFWSA-N
MW419.42 g/mol
LogP3.22
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 46195217) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-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-pyridin-2-ylpyridine-3-carboxamide
PubChem CID46195217
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-2-ylpyridine-3-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(-c3ccccn3)c2)n1
InChIInChI=1S/C22H18FN5O3/c1-13(21-26-14(2)27-31-21)25-20(29)16-11-18(15-6-8-17(23)9-7-15)22(30)28(12-16)19-5-3-4-10-24-19/h3-13H,1-2H3,(H,25,29)/t13-/m1/s1
InChIKeyKRWCQTCXLSUQQL-CYBMUJFWSA-N
XLogP3.22
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-pyridin-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-pyridin-2-ylpyridine-3-carboxamide (CID 46195217) is 5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-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-pyridin-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-pyridin-2-ylpyridine-3-carboxamide is Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(-c3ccccn3)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-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is KRWCQTCXLSUQQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-13(21-26-14(2)27-31-21)25-20(29)16-11-18(15-6-8-17(23)9-7-15)22(30)28(12-16)19-5-3-4-10-24-19/h3-13H,1-2H3,(H,25,29)/t13-/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-pyridin-2-ylpyridine-3-carboxamide?
5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46195217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).