N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide

C18H20N4O — CID 15951404

IUPACN'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)C1
InChIInChI=1S/C18H20N4O/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
InChIKeyHNZXYYYKZVJWFM-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.22
Rot. Bonds3

About N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide

N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide (PubChem CID 15951404) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
PubChem CID15951404
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)C1
InChIInChI=1S/C18H20N4O/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
InChIKeyHNZXYYYKZVJWFM-UHFFFAOYSA-N
XLogP3.22
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The IUPAC name of N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide (CID 15951404) is N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The canonical SMILES for N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide is CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)C1.
What is the InChIKey of N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The InChIKey is HNZXYYYKZVJWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21).
What are the key properties of N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide?
N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide has a molecular weight of 308.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]furan-2-carboximidamide is sourced from PubChem (CID 15951404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).