N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide

C25H19N3O2S — CID 10113192

IUPACN-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCSc1cc2cc(-c3ccoc3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H19N3O2S/c1-31-24-14-20-13-17(19-10-12-30-16-19)4-9-23(20)28(24)22-7-5-21(6-8-22)27-25(29)18-3-2-11-26-15-18/h2-16H,1H3,(H,27,29)
InChIKeyGIXDNVRUKYAGBU-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.26
Rot. Bonds5

About N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10113192) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID10113192
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCSc1cc2cc(-c3ccoc3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H19N3O2S/c1-31-24-14-20-13-17(19-10-12-30-16-19)4-9-23(20)28(24)22-7-5-21(6-8-22)27-25(29)18-3-2-11-26-15-18/h2-16H,1H3,(H,27,29)
InChIKeyGIXDNVRUKYAGBU-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-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide (CID 10113192) is N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide is CSc1cc2cc(-c3ccoc3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is GIXDNVRUKYAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-31-24-14-20-13-17(19-10-12-30-16-19)4-9-23(20)28(24)22-7-5-21(6-8-22)27-25(29)18-3-2-11-26-15-18/h2-16H,1H3,(H,27,29).
What are the key properties of N-[4-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-(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-[5-(furan-3-yl)-2-methylsulfanylindol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10113192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).