N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H14F3N3O — CID 78958341

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cccnc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-8-3-2-4-16-9(8)5-17-10(18)6-15-7-11(12,13)14/h2-4,15H,5-7H2,1H3,(H,17,18)
InChIKeyXYGMNAQENQNBRC-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.16
Rot. Bonds5

About N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958341) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958341
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cccnc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-8-3-2-4-16-9(8)5-17-10(18)6-15-7-11(12,13)14/h2-4,15H,5-7H2,1H3,(H,17,18)
InChIKeyXYGMNAQENQNBRC-UHFFFAOYSA-N
XLogP1.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958341) is N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cccnc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XYGMNAQENQNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-8-3-2-4-16-9(8)5-17-10(18)6-15-7-11(12,13)14/h2-4,15H,5-7H2,1H3,(H,17,18).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).