N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide

C19H21N3O2 — CID 54368561

IUPACN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
SMILESCN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccoc4)cc3c2C1
InChIInChI=1S/C19H21N3O2/c1-22(2)14-4-6-18-16(10-14)15-9-13(3-5-17(15)21-18)20-19(23)12-7-8-24-11-12/h3,5,7-9,11,14,21H,4,6,10H2,1-2H3,(H,20,23)
InChIKeyURNIYMBRCAVSTC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.43
Rot. Bonds3

About N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide

N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide (PubChem CID 54368561) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
PubChem CID54368561
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
SMILESCN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccoc4)cc3c2C1
InChIInChI=1S/C19H21N3O2/c1-22(2)14-4-6-18-16(10-14)15-9-13(3-5-17(15)21-18)20-19(23)12-7-8-24-11-12/h3,5,7-9,11,14,21H,4,6,10H2,1-2H3,(H,20,23)
InChIKeyURNIYMBRCAVSTC-UHFFFAOYSA-N
XLogP3.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide (CID 54368561) is N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide is CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccoc4)cc3c2C1.
What is the InChIKey of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide?
The InChIKey is URNIYMBRCAVSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(2)14-4-6-18-16(10-14)15-9-13(3-5-17(15)21-18)20-19(23)12-7-8-24-11-12/h3,5,7-9,11,14,21H,4,6,10H2,1-2H3,(H,20,23).
What are the key properties of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide?
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 54368561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).