N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H20F3N5O2 — CID 122669487

IUPACN-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCc2ccncc2C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H20F3N5O2/c1-13(11-29-9-7-14-6-8-25-10-17(14)12-29)26-19(30)16-4-2-15(3-5-16)18-27-20(31-28-18)21(22,23)24/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,26,30)/t13-/m1/s1
InChIKeyZHVSKKPOSCSUPK-CYBMUJFWSA-N
MW431.42 g/mol
LogP3.33
Rot. Bonds5

About N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 122669487) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID122669487
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC NameN-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN1CCc2ccncc2C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H20F3N5O2/c1-13(11-29-9-7-14-6-8-25-10-17(14)12-29)26-19(30)16-4-2-15(3-5-16)18-27-20(31-28-18)21(22,23)24/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,26,30)/t13-/m1/s1
InChIKeyZHVSKKPOSCSUPK-CYBMUJFWSA-N
XLogP3.33
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 122669487) is N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@H](CN1CCc2ccncc2C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is ZHVSKKPOSCSUPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-13(11-29-9-7-14-6-8-25-10-17(14)12-29)26-19(30)16-4-2-15(3-5-16)18-27-20(31-28-18)21(22,23)24/h2-6,8,10,13H,7,9,11-12H2,1H3,(H,26,30)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 431.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 122669487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).