N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide

C13H14F3N5O2 — CID 71557119

IUPACN-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2noc(C(F)(F)F)n2)nc1
InChIInChI=1S/C13H14F3N5O2/c1-21(2)8-3-4-9(17-7-8)18-11(22)6-5-10-19-12(23-20-10)13(14,15)16/h3-4,7H,5-6H2,1-2H3,(H,17,18,22)
InChIKeyIIJOQDNMSWCMHL-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.12
Rot. Bonds5

About N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide

N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 71557119) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID71557119
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC NameN-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2noc(C(F)(F)F)n2)nc1
InChIInChI=1S/C13H14F3N5O2/c1-21(2)8-3-4-9(17-7-8)18-11(22)6-5-10-19-12(23-20-10)13(14,15)16/h3-4,7H,5-6H2,1-2H3,(H,17,18,22)
InChIKeyIIJOQDNMSWCMHL-UHFFFAOYSA-N
XLogP2.12
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide (CID 71557119) is N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide is CN(C)c1ccc(NC(=O)CCc2noc(C(F)(F)F)n2)nc1.
What is the InChIKey of N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is IIJOQDNMSWCMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-21(2)8-3-4-9(17-7-8)18-11(22)6-5-10-19-12(23-20-10)13(14,15)16/h3-4,7H,5-6H2,1-2H3,(H,17,18,22).
What are the key properties of N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 329.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 71557119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).