5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide

C17H16F3N3O2S — CID 122462160

IUPAC5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
SMILESCCSc1cc(C2CC2)cnc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C17H16F3N3O2S/c1-2-26-13-5-10(9-3-4-9)7-21-14(13)16(25)23-12-6-11(17(18,19)20)8-22-15(12)24/h5-9H,2-4H2,1H3,(H,22,24)(H,23,25)
InChIKeyZMHNPIFBDGUDGH-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.03
Rot. Bonds5

About 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide

5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide (PubChem CID 122462160) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
PubChem CID122462160
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
SMILESCCSc1cc(C2CC2)cnc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C17H16F3N3O2S/c1-2-26-13-5-10(9-3-4-9)7-21-14(13)16(25)23-12-6-11(17(18,19)20)8-22-15(12)24/h5-9H,2-4H2,1H3,(H,22,24)(H,23,25)
InChIKeyZMHNPIFBDGUDGH-UHFFFAOYSA-N
XLogP4.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide (CID 122462160) is 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide is CCSc1cc(C2CC2)cnc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide?
The InChIKey is ZMHNPIFBDGUDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-2-26-13-5-10(9-3-4-9)7-21-14(13)16(25)23-12-6-11(17(18,19)20)8-22-15(12)24/h5-9H,2-4H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide?
5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122462160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).