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

C18H19F3N4O4 — CID 121347083

IUPAC[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCc1nc(C(NC(=O)Oc2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C18H19F3N4O4/c1-9-22-15(25-29-9)14(11-4-5-11)24-17(26)28-13-7-6-12(18(19,20)21)16(23-13)27-8-10-2-3-10/h6-7,10-11,14H,2-5,8H2,1H3,(H,24,26)
InChIKeyWZHHZIMZBGSBPM-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.82
Rot. Bonds7

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

[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate (PubChem CID 121347083) has the molecular formula C18H19F3N4O4 and a molecular weight of 412.37 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
PubChem CID121347083
Molecular FormulaC18H19F3N4O4
Molecular Weight412.37 g/mol
Exact Mass412.14
IUPAC Name[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
SMILESCc1nc(C(NC(=O)Oc2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C18H19F3N4O4/c1-9-22-15(25-29-9)14(11-4-5-11)24-17(26)28-13-7-6-12(18(19,20)21)16(23-13)27-8-10-2-3-10/h6-7,10-11,14H,2-5,8H2,1H3,(H,24,26)
InChIKeyWZHHZIMZBGSBPM-UHFFFAOYSA-N
XLogP3.82
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 121347109
6-(cyclopropylmethoxy)-N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 71105660
6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid;N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]decan-1-amine
CID 162002129
[5-cyclopentyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347302
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl] N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347261
[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 121347227
[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 121347130
N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 134424121
6-chloro-5-(cyclopropylmethoxy)-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 118418657
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347234
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 122684604

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate (CID 121347083) is [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate is Cc1nc(C(NC(=O)Oc2ccc(C(F)(F)F)c(OCC3CC3)n2)C2CC2)no1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
The InChIKey is WZHHZIMZBGSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4/c1-9-22-15(25-29-9)14(11-4-5-11)24-17(26)28-13-7-6-12(18(19,20)21)16(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)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate?
[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate has a molecular weight of 412.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate is sourced from PubChem (CID 121347083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).