4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide

C12H15F3N2O — CID 90650041

IUPAC4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
SMILESCc1cccnc1CN(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-9-4-3-7-16-10(9)8-17(2)11(18)5-6-12(13,14)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIRNRERXMGUNYRA-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.69
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide

4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide (PubChem CID 90650041) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
PubChem CID90650041
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
SMILESCc1cccnc1CN(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-9-4-3-7-16-10(9)8-17(2)11(18)5-6-12(13,14)15/h3-4,7H,5-6,8H2,1-2H3
InChIKeyIRNRERXMGUNYRA-UHFFFAOYSA-N
XLogP2.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154886194
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701429

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide (CID 90650041) is 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide is Cc1cccnc1CN(C)C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
The InChIKey is IRNRERXMGUNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-9-4-3-7-16-10(9)8-17(2)11(18)5-6-12(13,14)15/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide?
4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide has a molecular weight of 260.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide is sourced from PubChem (CID 90650041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).