5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide

C18H20N4O2S — CID 91385858

IUPAC5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide
SMILESCSCCCNC(=O)n1ccc2cc(Oc3ccnc(N)c3)ccc21
InChIInChI=1S/C18H20N4O2S/c1-25-10-2-7-21-18(23)22-9-6-13-11-14(3-4-16(13)22)24-15-5-8-20-17(19)12-15/h3-6,8-9,11-12H,2,7,10H2,1H3,(H2,19,20)(H,21,23)
InChIKeySFHCZTANHWULTG-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.72
Rot. Bonds6

About 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide

5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide (PubChem CID 91385858) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide
PubChem CID91385858
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide
SMILESCSCCCNC(=O)n1ccc2cc(Oc3ccnc(N)c3)ccc21
InChIInChI=1S/C18H20N4O2S/c1-25-10-2-7-21-18(23)22-9-6-13-11-14(3-4-16(13)22)24-15-5-8-20-17(19)12-15/h3-6,8-9,11-12H,2,7,10H2,1H3,(H2,19,20)(H,21,23)
InChIKeySFHCZTANHWULTG-UHFFFAOYSA-N
XLogP3.72
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide?
The IUPAC name of 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide (CID 91385858) is 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide.
What is the SMILES notation for 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide?
The canonical SMILES for 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide is CSCCCNC(=O)n1ccc2cc(Oc3ccnc(N)c3)ccc21.
What is the InChIKey of 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide?
The InChIKey is SFHCZTANHWULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-25-10-2-7-21-18(23)22-9-6-13-11-14(3-4-16(13)22)24-15-5-8-20-17(19)12-15/h3-6,8-9,11-12H,2,7,10H2,1H3,(H2,19,20)(H,21,23).
What are the key properties of 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide?
5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-pyridinyl)oxy]-N-(3-methylsulfanylpropyl)indole-1-carboxamide is sourced from PubChem (CID 91385858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).