5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide

C18H17FN4O2 — CID 46194002

IUPAC5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)N[C@H](C)c3nc(C)no3)c2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c1-10-4-5-15(16(19)6-10)13-7-14(9-20-8-13)17(24)21-11(2)18-22-12(3)23-25-18/h4-9,11H,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeyXKLXPXHCIQBZTG-LLVKDONJSA-N
MW340.36 g/mol
LogP3.38
Rot. Bonds4

About 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide

5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 46194002) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID46194002
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)N[C@H](C)c3nc(C)no3)c2)c(F)c1
InChIInChI=1S/C18H17FN4O2/c1-10-4-5-15(16(19)6-10)13-7-14(9-20-8-13)17(24)21-11(2)18-22-12(3)23-25-18/h4-9,11H,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeyXKLXPXHCIQBZTG-LLVKDONJSA-N
XLogP3.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)-6-oxopyridine-3-carboxamide
CID 46194383
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
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 46916369
2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97315521
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide (CID 46194002) is 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide is Cc1ccc(-c2cncc(C(=O)N[C@H](C)c3nc(C)no3)c2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is XKLXPXHCIQBZTG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10-4-5-15(16(19)6-10)13-7-14(9-20-8-13)17(24)21-11(2)18-22-12(3)23-25-18/h4-9,11H,1-3H3,(H,21,24)/t11-/m1/s1.
What are the key properties of 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide?
5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 46194002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).