5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C20H23F3N4O3 — CID 90214933

IUPAC5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCc1nc(C(C)(NC(=O)c2cc(O[C@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1
InChIInChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m1/s1
InChIKeyKWDRDSMKCSDYLL-VTZGEWFSSA-N
MW424.42 g/mol
LogP4.04
Rot. Bonds7

About 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90214933) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90214933
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCc1nc(C(C)(NC(=O)c2cc(O[C@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1
InChIInChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m1/s1
InChIKeyKWDRDSMKCSDYLL-VTZGEWFSSA-N
XLogP4.04
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90214933) is 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is Cc1nc(C(C)(NC(=O)c2cc(O[C@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1.
What is the InChIKey of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is KWDRDSMKCSDYLL-VTZGEWFSSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m1/s1.
What are the key properties of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90214933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).