6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide

C16H17N5O3 — CID 70213652

IUPAC6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2ccc(Oc3ccc(CN)o3)cc2[nH]1
InChIInChI=1S/C16H17N5O3/c1-21(16(18)19)15(22)13-6-9-2-3-10(7-12(9)20-13)23-14-5-4-11(8-17)24-14/h2-7,20H,8,17H2,1H3,(H3,18,19)
InChIKeyBQZVYDOIIHVSLJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.98
Rot. Bonds4

About 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide

6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 70213652) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide
PubChem CID70213652
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2ccc(Oc3ccc(CN)o3)cc2[nH]1
InChIInChI=1S/C16H17N5O3/c1-21(16(18)19)15(22)13-6-9-2-3-10(7-12(9)20-13)23-14-5-4-11(8-17)24-14/h2-7,20H,8,17H2,1H3,(H3,18,19)
InChIKeyBQZVYDOIIHVSLJ-UHFFFAOYSA-N
XLogP1.98
TPSA134.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide (CID 70213652) is 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide is [H]/N=C(\N)N(C)C(=O)c1cc2ccc(Oc3ccc(CN)o3)cc2[nH]1.
What is the InChIKey of 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is BQZVYDOIIHVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-21(16(18)19)15(22)13-6-9-2-3-10(7-12(9)20-13)23-14-5-4-11(8-17)24-14/h2-7,20H,8,17H2,1H3,(H3,18,19).
What are the key properties of 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide?
6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)furan-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70213652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).