2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide

C17H18N4O4 — CID 143724329

IUPAC2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide
SMILESNC(=O)c1c(NC=O)[nH]c2cc(-c3ccc(CNCCO)o3)ccc12
InChIInChI=1S/C17H18N4O4/c18-16(24)15-12-3-1-10(7-13(12)21-17(15)20-9-23)14-4-2-11(25-14)8-19-5-6-22/h1-4,7,9,19,21-22H,5-6,8H2,(H2,18,24)(H,20,23)
InChIKeyYVSRVHIWIGPPFP-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.18
Rot. Bonds8

About 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide

2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide (PubChem CID 143724329) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide
PubChem CID143724329
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide
SMILESNC(=O)c1c(NC=O)[nH]c2cc(-c3ccc(CNCCO)o3)ccc12
InChIInChI=1S/C17H18N4O4/c18-16(24)15-12-3-1-10(7-13(12)21-17(15)20-9-23)14-4-2-11(25-14)8-19-5-6-22/h1-4,7,9,19,21-22H,5-6,8H2,(H2,18,24)(H,20,23)
InChIKeyYVSRVHIWIGPPFP-UHFFFAOYSA-N
XLogP1.18
TPSA133.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide (CID 143724329) is 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide is NC(=O)c1c(NC=O)[nH]c2cc(-c3ccc(CNCCO)o3)ccc12.
What is the InChIKey of 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide?
The InChIKey is YVSRVHIWIGPPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c18-16(24)15-12-3-1-10(7-13(12)21-17(15)20-9-23)14-4-2-11(25-14)8-19-5-6-22/h1-4,7,9,19,21-22H,5-6,8H2,(H2,18,24)(H,20,23).
What are the key properties of 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide?
2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.18, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 143724329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).