N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C16H16BrF3N4O2S — CID 118865137

IUPACN-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(Br)cnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C16H16BrF3N4O2S/c1-4-27-10-5-8(17)7-22-12(10)14(25)24(3)13-9(21)6-11(16(18,19)20)23(2)15(13)26/h5-7H,4,21H2,1-3H3
InChIKeySUZDKLQZQJQAKV-UHFFFAOYSA-N
MW465.30 g/mol
LogP3.53
Rot. Bonds4

About N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 118865137) has the molecular formula C16H16BrF3N4O2S and a molecular weight of 465.30 g/mol. Its IUPAC name is N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID118865137
Molecular FormulaC16H16BrF3N4O2S
Molecular Weight465.30 g/mol
Exact Mass464.01
IUPAC NameN-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(Br)cnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C16H16BrF3N4O2S/c1-4-27-10-5-8(17)7-22-12(10)14(25)24(3)13-9(21)6-11(16(18,19)20)23(2)15(13)26/h5-7H,4,21H2,1-3H3
InChIKeySUZDKLQZQJQAKV-UHFFFAOYSA-N
XLogP3.53
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 118865137) is N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1cc(Br)cnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is SUZDKLQZQJQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF3N4O2S/c1-4-27-10-5-8(17)7-22-12(10)14(25)24(3)13-9(21)6-11(16(18,19)20)23(2)15(13)26/h5-7H,4,21H2,1-3H3.
What are the key properties of N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 465.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-5-bromo-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118865137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).