3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide

C16H24F3N3O2 — CID 171787163

IUPAC3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide
SMILESCCC(CC(=O)NCc1ccnc(OCC(F)(F)F)c1)N(C)CC
InChIInChI=1S/C16H24F3N3O2/c1-4-13(22(3)5-2)9-14(23)21-10-12-6-7-20-15(8-12)24-11-16(17,18)19/h6-8,13H,4-5,9-11H2,1-3H3,(H,21,23)
InChIKeyIUKZIIVNTGUOJX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.76
Rot. Bonds9

About 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide

3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide (PubChem CID 171787163) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide
PubChem CID171787163
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide
SMILESCCC(CC(=O)NCc1ccnc(OCC(F)(F)F)c1)N(C)CC
InChIInChI=1S/C16H24F3N3O2/c1-4-13(22(3)5-2)9-14(23)21-10-12-6-7-20-15(8-12)24-11-16(17,18)19/h6-8,13H,4-5,9-11H2,1-3H3,(H,21,23)
InChIKeyIUKZIIVNTGUOJX-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-ethyl-1-(thiophen-2-ylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 52653379
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787086
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787055
N-tert-butyl-2-[[N'-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamimidoyl]amino]acetamide
CID 111384517

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide?
The IUPAC name of 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide (CID 171787163) is 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide.
What is the SMILES notation for 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide?
The canonical SMILES for 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide is CCC(CC(=O)NCc1ccnc(OCC(F)(F)F)c1)N(C)CC.
What is the InChIKey of 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide?
The InChIKey is IUKZIIVNTGUOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-4-13(22(3)5-2)9-14(23)21-10-12-6-7-20-15(8-12)24-11-16(17,18)19/h6-8,13H,4-5,9-11H2,1-3H3,(H,21,23).
What are the key properties of 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide?
3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide has a molecular weight of 347.38 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pentanamide is sourced from PubChem (CID 171787163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).