N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C25H23N3O2 — CID 33498777

About N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 33498777) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• PubChem CID: 33498777
• Molecular Formula: C25H23N3O2
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.18
• IUPAC Name: N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• SMILES: O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc2[nH]c3c(c2c1)CCCC3
• InChI: InChI=1S/C25H23N3O2/c29-25(17-11-12-24-22(14-17)21-9-1-2-10-23(21)28-24)27-18-7-5-8-20(15-18)30-16-19-6-3-4-13-26-19/h3-8,11-15,28H,1-2,9-10,16H2,(H,27,29)
• InChIKey: YBGFHCMXRALCDL-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The IUPAC name of N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 33498777) is N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

What is the SMILES notation for N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The canonical SMILES for N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc2[nH]c3c(c2c1)CCCC3.

What is the InChIKey of N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The InChIKey is YBGFHCMXRALCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(17-11-12-24-22(14-17)21-9-1-2-10-23(21)28-24)27-18-7-5-8-20(15-18)30-16-19-6-3-4-13-26-19/h3-8,11-15,28H,1-2,9-10,16H2,(H,27,29).

What are the key properties of N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 33498777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).