N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C51H52Cl3F9N12O5S3 — CID 158744795

IUPACN-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C.CCSc1ccc(Cl)nc1C(=O)N(C)c1cc(C(F)(F)F)n(CC)c(=O)c1N.CCSc1ccc(Cl)nc1C(=O)Nc1cc(C(F)(F)F)n(CC)c(=O)c1NC
InChIInChI=1S/2C17H18ClF3N4O2S.C17H16ClF3N4OS/c1-4-25-11(17(19,20)21)8-9(13(22-3)16(25)27)23-15(26)14-10(28-5-2)6-7-12(18)24-14;1-4-25-11(17(19,20)21)8-9(13(22)15(25)26)24(3)16(27)14-10(28-5-2)6-7-12(18)23-14;1-4-25-11(17(19,20)21)8-9-14(16(25)26)24(3)15(22-9)13-10(27-5-2)6-7-12(18)23-13/h6-8,22H,4-5H2,1-3H3,(H,23,26);6-8H,4-5,22H2,1-3H3;6-8H,4-5H2,1-3H3
InChIKeyIMTDSWGAMOKDLA-UHFFFAOYSA-N
MW1286.60 g/mol
LogP12.85
Rot. Bonds15

About N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 158744795) has the molecular formula C51H52Cl3F9N12O5S3 and a molecular weight of 1286.60 g/mol. Its IUPAC name is N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound NameN-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID158744795
Molecular FormulaC51H52Cl3F9N12O5S3
Molecular Weight1286.60 g/mol
Exact Mass1284.23
IUPAC NameN-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C.CCSc1ccc(Cl)nc1C(=O)N(C)c1cc(C(F)(F)F)n(CC)c(=O)c1N.CCSc1ccc(Cl)nc1C(=O)Nc1cc(C(F)(F)F)n(CC)c(=O)c1NC
InChIInChI=1S/2C17H18ClF3N4O2S.C17H16ClF3N4OS/c1-4-25-11(17(19,20)21)8-9(13(22-3)16(25)27)23-15(26)14-10(28-5-2)6-7-12(18)24-14;1-4-25-11(17(19,20)21)8-9(13(22)15(25)26)24(3)16(27)14-10(28-5-2)6-7-12(18)23-14;1-4-25-11(17(19,20)21)8-9-14(16(25)26)24(3)15(22-9)13-10(27-5-2)6-7-12(18)23-13/h6-8,22H,4-5H2,1-3H3,(H,23,26);6-8H,4-5,22H2,1-3H3;6-8H,4-5H2,1-3H3
InChIKeyIMTDSWGAMOKDLA-UHFFFAOYSA-N
XLogP12.85
TPSA209.95 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.60
LogP ≤ 512.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 158744795) is N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCSc1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C.CCSc1ccc(Cl)nc1C(=O)N(C)c1cc(C(F)(F)F)n(CC)c(=O)c1N.CCSc1ccc(Cl)nc1C(=O)Nc1cc(C(F)(F)F)n(CC)c(=O)c1NC.
What is the InChIKey of N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is IMTDSWGAMOKDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18ClF3N4O2S.C17H16ClF3N4OS/c1-4-25-11(17(19,20)21)8-9(13(22-3)16(25)27)23-15(26)14-10(28-5-2)6-7-12(18)24-14;1-4-25-11(17(19,20)21)8-9(13(22)15(25)26)24(3)16(27)14-10(28-5-2)6-7-12(18)23-14;1-4-25-11(17(19,20)21)8-9-14(16(25)26)24(3)15(22-9)13-10(27-5-2)6-7-12(18)23-13/h6-8,22H,4-5H2,1-3H3,(H,23,26);6-8H,4-5,22H2,1-3H3;6-8H,4-5H2,1-3H3.
What are the key properties of N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 1286.60 g/mol, XLogP of 12.85, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-ethyl-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide;6-chloro-N-[1-ethyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfanylpyridine-2-carboxamide;2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 158744795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).