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

C12H13F3N2O — CID 2796125

IUPACN-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC1CC1
InChIInChI=1S/C12H13F3N2O/c1-7-9(11(18)16-6-8-2-3-8)4-5-10(17-7)12(13,14)15/h4-5,8H,2-3,6H2,1H3,(H,16,18)
InChIKeyCAJGSTYGWLCYCI-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.55
Rot. Bonds3

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

N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2796125) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2796125
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC1CC1
InChIInChI=1S/C12H13F3N2O/c1-7-9(11(18)16-6-8-2-3-8)4-5-10(17-7)12(13,14)15/h4-5,8H,2-3,6H2,1H3,(H,16,18)
InChIKeyCAJGSTYGWLCYCI-UHFFFAOYSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
N-[2-(4-Fluoro-benzoylamino)-ethyl]-6-methyl-nicotinamide
CID 6498619
6-Methyl-N-(3-phenylacetylamino-propyl)-nicotinamide
CID 6498664
6-(Trifluoromethyl)nicotinamide
CID 2777545
N-isopentyl-6-(2-phenylethynyl)nicotinamide
CID 45272146
2-((3-fluorophenyl)ethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 53326433
N-[3,5-Bis(trifluoromethyl)benzyl]-2,6-dimethyl-4-phenylnicotinamide
CID 54585203
6-benzyl-N-[(2-fluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 16027119
N-{3-[(2-fluorobenzoyl)amino]propyl}-6-methylnicotinamide
CID 6498648
2,6-Dimethylpyridine-3-carboxamide
CID 2824850
2-methyl-N-(2-methylpropyl)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 49792382

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2796125) is N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CAJGSTYGWLCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-9(11(18)16-6-8-2-3-8)4-5-10(17-7)12(13,14)15/h4-5,8H,2-3,6H2,1H3,(H,16,18).
What are the key properties of N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2796125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).