N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C17H17F3N2O3 — CID 2727328

IUPACN-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(OC)c1CN(C)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O3/c1-22(10-12-14(24-2)5-4-6-15(12)25-3)16(23)11-9-21-8-7-13(11)17(18,19)20/h4-9H,10H2,1-3H3
InChIKeyFZBUNRKWOMGDAB-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.39
Rot. Bonds5

About N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727328) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727328
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(OC)c1CN(C)C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O3/c1-22(10-12-14(24-2)5-4-6-15(12)25-3)16(23)11-9-21-8-7-13(11)17(18,19)20/h4-9H,10H2,1-3H3
InChIKeyFZBUNRKWOMGDAB-UHFFFAOYSA-N
XLogP3.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2-Methyl-2,7-Naphthyridin-1-One
CID 118796358
BI-9564
CID 117072549
2,6-dimethoxy-N-pyridin-4-ylbenzamide
CID 825634
3-(2-Methoxy-phenyl)-1-pyridin-3-YL-propenone
CID 6174007
(E)-1-pyridin-3-yl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19553304
(E)-3-(3,5-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 118491258
4-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 127051727
8-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
CID 127052023
4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 155561294
N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6887786
N-(2-Methoxy-benzyl)-nicotinamide
CID 668902
N-(2-methoxybenzyl)pyridine-4-carboxamide
CID 831703

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727328) is N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cccc(OC)c1CN(C)C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FZBUNRKWOMGDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-22(10-12-14(24-2)5-4-6-15(12)25-3)16(23)11-9-21-8-7-13(11)17(18,19)20/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).