4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide

C17H17F3N2O3S — CID 18326226

IUPAC4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(Oc2cccc(SC(F)(F)F)c2)nc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10(2)21-16(23)14-8-12(24-3)9-15(22-14)25-11-5-4-6-13(7-11)26-17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyBPNSTMSNXRZHDC-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.63
Rot. Bonds6

About 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide

4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide (PubChem CID 18326226) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide
PubChem CID18326226
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(Oc2cccc(SC(F)(F)F)c2)nc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10(2)21-16(23)14-8-12(24-3)9-15(22-14)25-11-5-4-6-13(7-11)26-17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyBPNSTMSNXRZHDC-UHFFFAOYSA-N
XLogP4.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide (CID 18326226) is 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide is COc1cc(Oc2cccc(SC(F)(F)F)c2)nc(C(=O)NC(C)C)c1.
What is the InChIKey of 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide?
The InChIKey is BPNSTMSNXRZHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-10(2)21-16(23)14-8-12(24-3)9-15(22-14)25-11-5-4-6-13(7-11)26-17(18,19)20/h4-10H,1-3H3,(H,21,23).
What are the key properties of 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide?
4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-yl-6-[3-(trifluoromethylsulfanyl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 18326226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).