N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C14H12BrF3N2O2S — CID 55742591

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H12BrF3N2O2S/c1-20(6-11-4-10(15)7-23-11)13(21)9-2-3-12(19-5-9)22-8-14(16,17)18/h2-5,7H,6,8H2,1H3
InChIKeyPCWFNNAFYHHONB-UHFFFAOYSA-N
MW409.23 g/mol
LogP4.12
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55742591) has the molecular formula C14H12BrF3N2O2S and a molecular weight of 409.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55742591
Molecular FormulaC14H12BrF3N2O2S
Molecular Weight409.23 g/mol
Exact Mass407.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H12BrF3N2O2S/c1-20(6-11-4-10(15)7-23-11)13(21)9-2-3-12(19-5-9)22-8-14(16,17)18/h2-5,7H,6,8H2,1H3
InChIKeyPCWFNNAFYHHONB-UHFFFAOYSA-N
XLogP4.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-methyl-N-[(3-nitrophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46481099
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
N-[(5-bromothiophen-2-yl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 27839528
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134004580
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51320683
4-N-[(4-bromothiophen-2-yl)methyl]-1-N-tert-butyl-4-N-methylbenzene-1,4-dicarboxamide
CID 48858058
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55742591) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN(Cc1cc(Br)cs1)C(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PCWFNNAFYHHONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O2S/c1-20(6-11-4-10(15)7-23-11)13(21)9-2-3-12(19-5-9)22-8-14(16,17)18/h2-5,7H,6,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 409.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55742591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).