N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

C20H18F3N5O4 — CID 164881497

IUPACN-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H18F3N5O4/c1-31-11-15(18(30)25-9-12-5-3-2-4-6-12)26-17(29)13-7-8-14(24-10-13)16-27-19(32-28-16)20(21,22)23/h2-8,10,15H,9,11H2,1H3,(H,25,30)(H,26,29)/t15-/m1/s1
InChIKeyYDSJWQSBIVXVOO-OAHLLOKOSA-N
MW449.39 g/mol
LogP2.21
Rot. Bonds8

About N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 164881497) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID164881497
Molecular FormulaC20H18F3N5O4
Molecular Weight449.39 g/mol
Exact Mass449.13
IUPAC NameN-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H18F3N5O4/c1-31-11-15(18(30)25-9-12-5-3-2-4-6-12)26-17(29)13-7-8-14(24-10-13)16-27-19(32-28-16)20(21,22)23/h2-8,10,15H,9,11H2,1H3,(H,25,30)(H,26,29)/t15-/m1/s1
InChIKeyYDSJWQSBIVXVOO-OAHLLOKOSA-N
XLogP2.21
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 164881497) is N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is COC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is YDSJWQSBIVXVOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c1-31-11-15(18(30)25-9-12-5-3-2-4-6-12)26-17(29)13-7-8-14(24-10-13)16-27-19(32-28-16)20(21,22)23/h2-8,10,15H,9,11H2,1H3,(H,25,30)(H,26,29)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 164881497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).