N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide

C25H23N3O2S — CID 10159726

IUPACN-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCSc1cc2cc(C3CCCO3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-31-24-15-19-14-17(23-5-3-13-30-23)6-11-22(19)28(24)21-9-7-20(8-10-21)27-25(29)18-4-2-12-26-16-18/h2,4,6-12,14-16,23H,3,5,13H2,1H3,(H,27,29)
InChIKeyZUEOXWVDZWNMEP-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.85
Rot. Bonds5

About N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10159726) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID10159726
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCSc1cc2cc(C3CCCO3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H23N3O2S/c1-31-24-15-19-14-17(23-5-3-13-30-23)6-11-22(19)28(24)21-9-7-20(8-10-21)27-25(29)18-4-2-12-26-16-18/h2,4,6-12,14-16,23H,3,5,13H2,1H3,(H,27,29)
InChIKeyZUEOXWVDZWNMEP-UHFFFAOYSA-N
XLogP5.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide (CID 10159726) is N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide is CSc1cc2cc(C3CCCO3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZUEOXWVDZWNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-31-24-15-19-14-17(23-5-3-13-30-23)6-11-22(19)28(24)21-9-7-20(8-10-21)27-25(29)18-4-2-12-26-16-18/h2,4,6-12,14-16,23H,3,5,13H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methylsulfanyl-5-(oxolan-2-yl)indol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10159726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).