2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C16H24F3N5O — CID 109471279

IUPAC2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCCC(F)(F)F
InChIInChI=1S/C16H24F3N5O/c1-3-20-15(22-10-8-16(17,18)19)23-12-14(25)24(2)11-7-13-6-4-5-9-21-13/h4-6,9H,3,7-8,10-12H2,1-2H3,(H2,20,22,23)
InChIKeyXNSSUBXEKQQUMG-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.59
Rot. Bonds8

About 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 109471279) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID109471279
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCCC(F)(F)F
InChIInChI=1S/C16H24F3N5O/c1-3-20-15(22-10-8-16(17,18)19)23-12-14(25)24(2)11-7-13-6-4-5-9-21-13/h4-6,9H,3,7-8,10-12H2,1-2H3,(H2,20,22,23)
InChIKeyXNSSUBXEKQQUMG-UHFFFAOYSA-N
XLogP1.59
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino(propylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111228150
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110935198
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111134904
2-[[ethylamino-(hexylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111161206
2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111689117
2-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111947586
2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111970775
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111011012
2-[[[3-(cyclopropylmethoxy)propylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111392685
2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111962799
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110958383
2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111929565

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 109471279) is 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCCC(F)(F)F.
What is the InChIKey of 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is XNSSUBXEKQQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O/c1-3-20-15(22-10-8-16(17,18)19)23-12-14(25)24(2)11-7-13-6-4-5-9-21-13/h4-6,9H,3,7-8,10-12H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 359.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 109471279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).