N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

C19H17N3O2S — CID 16907017

IUPACN-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCSc3c[nH]c4ccccc34)cc2n1
InChIInChI=1S/C19H17N3O2S/c1-12-6-7-16-15(22-12)10-17(24-16)19(23)20-8-9-25-18-11-21-14-5-3-2-4-13(14)18/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyRVYQJDYMGOXABN-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 16907017) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID16907017
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCSc3c[nH]c4ccccc34)cc2n1
InChIInChI=1S/C19H17N3O2S/c1-12-6-7-16-15(22-12)10-17(24-16)19(23)20-8-9-25-18-11-21-14-5-3-2-4-13(14)18/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyRVYQJDYMGOXABN-UHFFFAOYSA-N
XLogP4.14
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (CID 16907017) is N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)NCCSc3c[nH]c4ccccc34)cc2n1.
What is the InChIKey of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is RVYQJDYMGOXABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-6-7-16-15(22-12)10-17(24-16)19(23)20-8-9-25-18-11-21-14-5-3-2-4-13(14)18/h2-7,10-11,21H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-ylsulfanyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16907017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).