3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C18H18F3N5O2 — CID 164617549

IUPAC3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)no1
InChIInChI=1S/C18H18F3N5O2/c1-9-13(6-12-4-5-14(22-7-12)18(19,20)21)8-23-15(9)17(27)24-10(2)16-25-11(3)28-26-16/h4-5,7-8,10,23H,6H2,1-3H3,(H,24,27)
InChIKeyKRBLOUONZFSNTG-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.51
Rot. Bonds5

About 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164617549) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164617549
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)no1
InChIInChI=1S/C18H18F3N5O2/c1-9-13(6-12-4-5-14(22-7-12)18(19,20)21)8-23-15(9)17(27)24-10(2)16-25-11(3)28-26-16/h4-5,7-8,10,23H,6H2,1-3H3,(H,24,27)
InChIKeyKRBLOUONZFSNTG-UHFFFAOYSA-N
XLogP3.51
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164617549) is 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1nc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)no1.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KRBLOUONZFSNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-9-13(6-12-4-5-14(22-7-12)18(19,20)21)8-23-15(9)17(27)24-10(2)16-25-11(3)28-26-16/h4-5,7-8,10,23H,6H2,1-3H3,(H,24,27).
What are the key properties of 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).