formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide

C16H18N4O4 — CID 143724292

IUPACformamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide
SMILESCNc1[nH]c2cc(-c3ccc(CO)o3)ccc2c1C(N)=O.NC=O
InChIInChI=1S/C15H15N3O3.CH3NO/c1-17-15-13(14(16)20)10-4-2-8(6-11(10)18-15)12-5-3-9(7-19)21-12;2-1-3/h2-6,17-19H,7H2,1H3,(H2,16,20);1H,(H2,2,3)
InChIKeyJFQWLFPUUFIBIH-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.16
Rot. Bonds4

About formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide

formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide (PubChem CID 143724292) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Nameformamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide
PubChem CID143724292
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Nameformamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide
SMILESCNc1[nH]c2cc(-c3ccc(CO)o3)ccc2c1C(N)=O.NC=O
InChIInChI=1S/C15H15N3O3.CH3NO/c1-17-15-13(14(16)20)10-4-2-8(6-11(10)18-15)12-5-3-9(7-19)21-12;2-1-3/h2-6,17-19H,7H2,1H3,(H2,16,20);1H,(H2,2,3)
InChIKeyJFQWLFPUUFIBIH-UHFFFAOYSA-N
XLogP1.16
TPSA147.37 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide?
The IUPAC name of formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide (CID 143724292) is formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide?
The canonical SMILES for formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide is CNc1[nH]c2cc(-c3ccc(CO)o3)ccc2c1C(N)=O.NC=O.
What is the InChIKey of formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide?
The InChIKey is JFQWLFPUUFIBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3.CH3NO/c1-17-15-13(14(16)20)10-4-2-8(6-11(10)18-15)12-5-3-9(7-19)21-12;2-1-3/h2-6,17-19H,7H2,1H3,(H2,16,20);1H,(H2,2,3).
What are the key properties of formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide?
formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 143724292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).