N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide

C17H26F3N5O2 — CID 78426670

IUPACN-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1
InChIInChI=1S/C17H26F3N5O2/c1-4-25(8-7-24(2)3)15(26)12-21-11-14-9-13(5-6-22-14)10-23-16(27)17(18,19)20/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,23,27)
InChIKeyNEJVXTLMGJPXNG-UHFFFAOYSA-N
MW389.42 g/mol
LogP0.76
Rot. Bonds10

About N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide

N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 78426670) has the molecular formula C17H26F3N5O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID78426670
Molecular FormulaC17H26F3N5O2
Molecular Weight389.42 g/mol
Exact Mass389.20
IUPAC NameN-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1
InChIInChI=1S/C17H26F3N5O2/c1-4-25(8-7-24(2)3)15(26)12-21-11-14-9-13(5-6-22-14)10-23-16(27)17(18,19)20/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,23,27)
InChIKeyNEJVXTLMGJPXNG-UHFFFAOYSA-N
XLogP0.76
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide (CID 78426670) is N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide is CCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1.
What is the InChIKey of N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is NEJVXTLMGJPXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O2/c1-4-25(8-7-24(2)3)15(26)12-21-11-14-9-13(5-6-22-14)10-23-16(27)17(18,19)20/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,23,27).
What are the key properties of N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide?
N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 389.42 g/mol, XLogP of 0.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 78426670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).