6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide

C30H30N4O4 — CID 54389450

About 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide

6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide (PubChem CID 54389450) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide
• PubChem CID: 54389450
• Molecular Formula: C30H30N4O4
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.23
• IUPAC Name: 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(OCCN(Cc2ccc(O)cc2)CC(O)Cc2cccc3c2[nH]c2ccccc23)nc1
• InChI: InChI=1S/C30H30N4O4/c31-30(37)22-10-13-28(32-17-22)38-15-14-34(18-20-8-11-23(35)12-9-20)19-24(36)16-21-4-3-6-26-25-5-1-2-7-27(25)33-29(21)26/h1-13,17,24,33,35-36H,14-16,18-19H2,(H2,31,37)
• InChIKey: VFOURCJCTISIIZ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 124.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide (CID 54389450) is 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide is NC(=O)c1ccc(OCCN(Cc2ccc(O)cc2)CC(O)Cc2cccc3c2[nH]c2ccccc23)nc1.

What is the InChIKey of 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide?

The InChIKey is VFOURCJCTISIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c31-30(37)22-10-13-28(32-17-22)38-15-14-34(18-20-8-11-23(35)12-9-20)19-24(36)16-21-4-3-6-26-25-5-1-2-7-27(25)33-29(21)26/h1-13,17,24,33,35-36H,14-16,18-19H2,(H2,31,37).

What are the key properties of 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide?

6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 4.01, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[3-(9H-carbazol-1-yl)-2-hydroxypropyl]-[(4-hydroxyphenyl)methyl]amino]ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 54389450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).