6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C18H19F3N4O3 — CID 71105660

IUPAC6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1nc(C(NC(=O)c2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C18H19F3N4O3/c1-9-22-15(25-28-9)14(11-4-5-11)24-16(26)13-7-6-12(18(19,20)21)17(23-13)27-8-10-2-3-10/h6-7,10-11,14H,2-5,8H2,1H3,(H,24,26)
InChIKeyQJXIDJTYVUOGKY-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.46
Rot. Bonds7

About 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 71105660) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID71105660
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1nc(C(NC(=O)c2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C18H19F3N4O3/c1-9-22-15(25-28-9)14(11-4-5-11)24-16(26)13-7-6-12(18(19,20)21)17(23-13)27-8-10-2-3-10/h6-7,10-11,14H,2-5,8H2,1H3,(H,24,26)
InChIKeyQJXIDJTYVUOGKY-UHFFFAOYSA-N
XLogP3.46
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 71105660) is 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1nc(C(NC(=O)c2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QJXIDJTYVUOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-9-22-15(25-28-9)14(11-4-5-11)24-16(26)13-7-6-12(18(19,20)21)17(23-13)27-8-10-2-3-10/h6-7,10-11,14H,2-5,8H2,1H3,(H,24,26).
What are the key properties of 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).