N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C15H13F3N2O — CID 2796050

IUPACN-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H13F3N2O/c1-10-12(7-8-13(20-10)15(16,17)18)14(21)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyPKIGYRDTNFFKDQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.34
Rot. Bonds3

About N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2796050) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2796050
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H13F3N2O/c1-10-12(7-8-13(20-10)15(16,17)18)14(21)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyPKIGYRDTNFFKDQ-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinanilide
CID 74463
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Phenatine
CID 120640
6-Methylnicotinamide
CID 96351
Nicotinic acid benzylamide
CID 98499
N-Phenethyl-nicotinamide
CID 668779
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
VU0360172
CID 53318624
n-(2-Fluorophenyl)nicotinamide
CID 279880
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
CID 778137
4-acetamido-N-(pyridin-3-ylmethyl)benzamide
CID 669478

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2796050) is N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PKIGYRDTNFFKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10-12(7-8-13(20-10)15(16,17)18)14(21)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2796050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).