N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide

C20H21N3O2 — CID 143732928

IUPACN-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESC/C(N)=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C20H21N3O2/c1-13(21)22-20(24)14-6-7-17-16-4-2-3-5-18(16)23(19(17)12-14)15-8-10-25-11-9-15/h2-7,12,15H,8-11H2,1H3,(H2,21,22,24)
InChIKeyZUKWVKPGAFGZLW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.66
Rot. Bonds2

About N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide

N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide (PubChem CID 143732928) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
PubChem CID143732928
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESC/C(N)=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C20H21N3O2/c1-13(21)22-20(24)14-6-7-17-16-4-2-3-5-18(16)23(19(17)12-14)15-8-10-25-11-9-15/h2-7,12,15H,8-11H2,1H3,(H2,21,22,24)
InChIKeyZUKWVKPGAFGZLW-UHFFFAOYSA-N
XLogP3.66
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
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-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide (CID 143732928) is N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide is C/C(N)=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1.
What is the InChIKey of N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
The InChIKey is ZUKWVKPGAFGZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(21)22-20(24)14-6-7-17-16-4-2-3-5-18(16)23(19(17)12-14)15-8-10-25-11-9-15/h2-7,12,15H,8-11H2,1H3,(H2,21,22,24).
What are the key properties of N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide?
N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide is sourced from PubChem (CID 143732928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).