N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H17BrF3N3O2 — CID 165340265

IUPACN-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(Br)c2ccccc2c1NC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C21H17BrF3N3O2/c1-3-26-19(29)15-10-16(22)13-6-4-5-7-14(13)18(15)28-20(30)12-8-9-17(21(23,24)25)27-11(12)2/h4-10H,3H2,1-2H3,(H,26,29)(H,28,30)
InChIKeyZWWUQGTZWPOUNY-UHFFFAOYSA-N
MW480.28 g/mol
LogP5.33
Rot. Bonds4

About N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 165340265) has the molecular formula C21H17BrF3N3O2 and a molecular weight of 480.28 g/mol. Its IUPAC name is N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID165340265
Molecular FormulaC21H17BrF3N3O2
Molecular Weight480.28 g/mol
Exact Mass479.05
IUPAC NameN-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(Br)c2ccccc2c1NC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C21H17BrF3N3O2/c1-3-26-19(29)15-10-16(22)13-6-4-5-7-14(13)18(15)28-20(30)12-8-9-17(21(23,24)25)27-11(12)2/h4-10H,3H2,1-2H3,(H,26,29)(H,28,30)
InChIKeyZWWUQGTZWPOUNY-UHFFFAOYSA-N
XLogP5.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.28
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119438731
N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69437945
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595384
N'-(2-hydroxybenzoyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 31978231
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31882555
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 165340265) is N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCNC(=O)c1cc(Br)c2ccccc2c1NC(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZWWUQGTZWPOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF3N3O2/c1-3-26-19(29)15-10-16(22)13-6-4-5-7-14(13)18(15)28-20(30)12-8-9-17(21(23,24)25)27-11(12)2/h4-10H,3H2,1-2H3,(H,26,29)(H,28,30).
What are the key properties of N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 480.28 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(ethylcarbamoyl)naphthalen-1-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 165340265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).