N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

C17H19ClF3N3O — CID 119438731

IUPACN-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1C.Cl
InChIInChI=1S/C17H18F3N3O.ClH/c1-3-21-10-12-6-4-5-7-14(12)23-16(24)13-8-9-15(17(18,19)20)22-11(13)2;/h4-9,21H,3,10H2,1-2H3,(H,23,24);1H
InChIKeyBOMDXDCNBFDPCL-UHFFFAOYSA-N
MW373.81 g/mol
LogP4.19
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 119438731) has the molecular formula C17H19ClF3N3O and a molecular weight of 373.81 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID119438731
Molecular FormulaC17H19ClF3N3O
Molecular Weight373.81 g/mol
Exact Mass373.12
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1C.Cl
InChIInChI=1S/C17H18F3N3O.ClH/c1-3-21-10-12-6-4-5-7-14(12)23-16(24)13-8-9-15(17(18,19)20)22-11(13)2;/h4-9,21H,3,10H2,1-2H3,(H,23,24);1H
InChIKeyBOMDXDCNBFDPCL-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119439823
N'-(2-hydroxybenzoyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 31978231
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 165340265
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (CID 119438731) is N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1C.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is BOMDXDCNBFDPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O.ClH/c1-3-21-10-12-6-4-5-7-14(12)23-16(24)13-8-9-15(17(18,19)20)22-11(13)2;/h4-9,21H,3,10H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 373.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119438731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).