5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide

C18H23F3N4O4 — CID 144638470

IUPAC5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide
SMILESCc1cc(OCC(F)(F)F)c(C2CC2)cn1.Cc1nc(C(C)(CO)NC=O)no1
InChIInChI=1S/C11H12F3NO.C7H11N3O3/c1-7-4-10(16-6-11(12,13)14)9(5-15-7)8-2-3-8;1-5-9-6(10-13-5)7(2,3-11)8-4-12/h4-5,8H,2-3,6H2,1H3;4,11H,3H2,1-2H3,(H,8,12)
InChIKeyKIYCDGKLGUTCRB-UHFFFAOYSA-N
MW416.40 g/mol
LogP2.54
Rot. Bonds7

About 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide

5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide (PubChem CID 144638470) has the molecular formula C18H23F3N4O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide
PubChem CID144638470
Molecular FormulaC18H23F3N4O4
Molecular Weight416.40 g/mol
Exact Mass416.17
IUPAC Name5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide
SMILESCc1cc(OCC(F)(F)F)c(C2CC2)cn1.Cc1nc(C(C)(CO)NC=O)no1
InChIInChI=1S/C11H12F3NO.C7H11N3O3/c1-7-4-10(16-6-11(12,13)14)9(5-15-7)8-2-3-8;1-5-9-6(10-13-5)7(2,3-11)8-4-12/h4-5,8H,2-3,6H2,1H3;4,11H,3H2,1-2H3,(H,8,12)
InChIKeyKIYCDGKLGUTCRB-UHFFFAOYSA-N
XLogP2.54
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
1-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4-(3,3-difluoroazetidin-1-yl)-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 146793385
1-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylmethoxybutan-1-one
CID 146915662
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
5-chloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]decan-1-amine
CID 158419236
4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 129216402
4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
CID 129216377
5-cyclobutyl-3-[(2R)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794309
3-cyclopropyl-1-[5-(1-fluorocyclobutyl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 158116709
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483742
5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90203246

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide?
The IUPAC name of 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide (CID 144638470) is 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide.
What is the SMILES notation for 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide?
The canonical SMILES for 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide is Cc1cc(OCC(F)(F)F)c(C2CC2)cn1.Cc1nc(C(C)(CO)NC=O)no1.
What is the InChIKey of 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide?
The InChIKey is KIYCDGKLGUTCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.C7H11N3O3/c1-7-4-10(16-6-11(12,13)14)9(5-15-7)8-2-3-8;1-5-9-6(10-13-5)7(2,3-11)8-4-12/h4-5,8H,2-3,6H2,1H3;4,11H,3H2,1-2H3,(H,8,12).
What are the key properties of 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide?
5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide has a molecular weight of 416.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 144638470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).