6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C16H15F3N2O — CID 42936491

IUPAC6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H15F3N2O/c1-10-6-7-13(9-20-10)15(22)21-11(2)12-4-3-5-14(8-12)16(17,18)19/h3-9,11H,1-2H3,(H,21,22)
InChIKeyNGUHQMJJFRLOQH-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.90
Rot. Bonds3

About 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 42936491) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID42936491
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H15F3N2O/c1-10-6-7-13(9-20-10)15(22)21-11(2)12-4-3-5-14(8-12)16(17,18)19/h3-9,11H,1-2H3,(H,21,22)
InChIKeyNGUHQMJJFRLOQH-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166188628
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41144986
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 9116458
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 42936491) is 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is NGUHQMJJFRLOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-6-7-13(9-20-10)15(22)21-11(2)12-4-3-5-14(8-12)16(17,18)19/h3-9,11H,1-2H3,(H,21,22).
What are the key properties of 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 42936491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).