N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C19H24F3N5O3 — CID 90203958

IUPACN-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(c2noc(N)n2)C(C)(C)C)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C19H24F3N5O3/c1-9(19(20,21)22)29-13-7-12(24-8-11(13)10-5-6-10)16(28)25-14(18(2,3)4)15-26-17(23)30-27-15/h7-10,14H,5-6H2,1-4H3,(H,25,28)(H2,23,26,27)/t9-,14?/m0/s1
InChIKeySPCIZGDSHYOPNO-CUVJYRNJSA-N
MW427.43 g/mol
LogP3.77
Rot. Bonds6

About N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90203958) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90203958
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC NameN-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(c2noc(N)n2)C(C)(C)C)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C19H24F3N5O3/c1-9(19(20,21)22)29-13-7-12(24-8-11(13)10-5-6-10)16(28)25-14(18(2,3)4)15-26-17(23)30-27-15/h7-10,14H,5-6H2,1-4H3,(H,25,28)(H2,23,26,27)/t9-,14?/m0/s1
InChIKeySPCIZGDSHYOPNO-CUVJYRNJSA-N
XLogP3.77
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90203958) is N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is C[C@H](Oc1cc(C(=O)NC(c2noc(N)n2)C(C)(C)C)ncc1C1CC1)C(F)(F)F.
What is the InChIKey of N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is SPCIZGDSHYOPNO-CUVJYRNJSA-N. The full InChI is InChI=1S/C19H24F3N5O3/c1-9(19(20,21)22)29-13-7-12(24-8-11(13)10-5-6-10)16(28)25-14(18(2,3)4)15-26-17(23)30-27-15/h7-10,14H,5-6H2,1-4H3,(H,25,28)(H2,23,26,27)/t9-,14?/m0/s1.
What are the key properties of N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90203958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).