spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide

C14H16N4O — CID 140735610

IUPACspiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide
SMILESNC(=O)N1CC2(CNCC3=Nc4ccccc4C32)C1
InChIInChI=1S/C14H16N4O/c15-13(19)18-7-14(8-18)6-16-5-11-12(14)9-3-1-2-4-10(9)17-11/h1-4,12,16H,5-8H2,(H2,15,19)
InChIKeyXWROJLRLDKWYLJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.84
Rot. Bonds

About spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide

spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide (PubChem CID 140735610) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide.

Molecular Properties

Compound Namespiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide
PubChem CID140735610
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Namespiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide
SMILESNC(=O)N1CC2(CNCC3=Nc4ccccc4C32)C1
InChIInChI=1S/C14H16N4O/c15-13(19)18-7-14(8-18)6-16-5-11-12(14)9-3-1-2-4-10(9)17-11/h1-4,12,16H,5-8H2,(H2,15,19)
InChIKeyXWROJLRLDKWYLJ-UHFFFAOYSA-N
XLogP0.84
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide?
The IUPAC name of spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide (CID 140735610) is spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide.
What is the SMILES notation for spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide?
The canonical SMILES for spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide is NC(=O)N1CC2(CNCC3=Nc4ccccc4C32)C1.
What is the InChIKey of spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide?
The InChIKey is XWROJLRLDKWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13(19)18-7-14(8-18)6-16-5-11-12(14)9-3-1-2-4-10(9)17-11/h1-4,12,16H,5-8H2,(H2,15,19).
What are the key properties of spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide?
spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,4a-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 140735610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).