2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H16F3N3O — CID 115614108

IUPAC2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cccnc1CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-8-4-3-5-16-10(8)6-17-9(2)11(19)18-7-12(13,14)15/h3-5,9,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyHPRXGEAUCBODTC-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.55
Rot. Bonds5

About 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115614108) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115614108
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cccnc1CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-8-4-3-5-16-10(8)6-17-9(2)11(19)18-7-12(13,14)15/h3-5,9,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyHPRXGEAUCBODTC-UHFFFAOYSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306339
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571278
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115587199
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115614108) is 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1cccnc1CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HPRXGEAUCBODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8-4-3-5-16-10(8)6-17-9(2)11(19)18-7-12(13,14)15/h3-5,9,17H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115614108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).