5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide

C20H20F3N5O3S — CID 134466773

IUPAC5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
SMILESCCSc1cc(C2(C#N)CC2)cnc1C(=O)Nc1cc(C(F)(F)F)n(OC)c(=O)c1NC
InChIInChI=1S/C20H20F3N5O3S/c1-4-32-13-7-11(19(10-24)5-6-19)9-26-16(13)17(29)27-12-8-14(20(21,22)23)28(31-3)18(30)15(12)25-2/h7-9,25H,4-6H2,1-3H3,(H,27,29)
InChIKeyHFQGTJBCBFEBTC-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.28
Rot. Bonds7

About 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide

5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 134466773) has the molecular formula C20H20F3N5O3S and a molecular weight of 467.47 g/mol. Its IUPAC name is 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
PubChem CID134466773
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.47 g/mol
Exact Mass467.12
IUPAC Name5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
SMILESCCSc1cc(C2(C#N)CC2)cnc1C(=O)Nc1cc(C(F)(F)F)n(OC)c(=O)c1NC
InChIInChI=1S/C20H20F3N5O3S/c1-4-32-13-7-11(19(10-24)5-6-19)9-26-16(13)17(29)27-12-8-14(20(21,22)23)28(31-3)18(30)15(12)25-2/h7-9,25H,4-6H2,1-3H3,(H,27,29)
InChIKeyHFQGTJBCBFEBTC-UHFFFAOYSA-N
XLogP3.28
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-[[3,3-Difluoro-3-(4-fluorophenyl)-propyl]sulfanyl]-N-(3-methyl-butyl)-pyridine-2-carboxylic acid amide
CID 76287406
5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
CID 122462160
5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 122462271
5-cyclopropyl-3-ethylsulfanyl-N-[2-sulfanylidene-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
CID 122462273
N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)pyridin-4-yl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 129164637
5-cyclopropyl-3-ethylsulfanyl-N-[3-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 130382500
5-(1-cyanocyclopropyl)-3-ethylsulfonyl-N-[(1E,3E)-1-(methylamino)-1-(methylideneamino)-4-(trifluoromethylsulfanyl)penta-1,3-dien-2-yl]pyridine-2-carboxamide
CID 132181071
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-cyclopropyl-3-ethylsulfanylpyridine-2-carboxamide
CID 132187608
N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 134466775
N-[(1E,3Z)-2-amino-5,5,5-trifluoro-4-(hydroxyamino)-1-methoxypenta-1,3-dienyl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 134466777
N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 134466864
5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)pyridin-3-yl]pyridine-2-carboxamide
CID 135122408

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide (CID 134466773) is 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide is CCSc1cc(C2(C#N)CC2)cnc1C(=O)Nc1cc(C(F)(F)F)n(OC)c(=O)c1NC.
What is the InChIKey of 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is HFQGTJBCBFEBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S/c1-4-32-13-7-11(19(10-24)5-6-19)9-26-16(13)17(29)27-12-8-14(20(21,22)23)28(31-3)18(30)15(12)25-2/h7-9,25H,4-6H2,1-3H3,(H,27,29).
What are the key properties of 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide?
5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 467.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 134466773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).