N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide

C25H19N3O2S — CID 10113191

IUPACN-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCSc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H19N3O2S/c1-31-24-14-22-21(18-11-13-30-16-18)5-2-6-23(22)28(24)20-9-7-19(8-10-20)27-25(29)17-4-3-12-26-15-17/h2-16H,1H3,(H,27,29)
InChIKeyAVZGLPRHYXHJOI-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.26
Rot. Bonds5

About N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10113191) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID10113191
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCSc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H19N3O2S/c1-31-24-14-22-21(18-11-13-30-16-18)5-2-6-23(22)28(24)20-9-7-19(8-10-20)27-25(29)17-4-3-12-26-15-17/h2-16H,1H3,(H,27,29)
InChIKeyAVZGLPRHYXHJOI-UHFFFAOYSA-N
XLogP6.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide (CID 10113191) is N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide is CSc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is AVZGLPRHYXHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-31-24-14-22-21(18-11-13-30-16-18)5-2-6-23(22)28(24)20-9-7-19(8-10-20)27-25(29)17-4-3-12-26-15-17/h2-16H,1H3,(H,27,29).
What are the key properties of N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10113191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).