5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide

C23H26N4O2 — CID 73296595

IUPAC5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN2CCCC12
InChIInChI=1S/C23H26N4O2/c1-14-4-7-18-16(11-14)22-19-3-2-9-26(19)10-8-20(22)27(18)13-21(28)15-5-6-17(23(24)29)25-12-15/h4-7,11-12,19,21,28H,2-3,8-10,13H2,1H3,(H2,24,29)
InChIKeyIGEDLSZKHSGIOU-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.87
Rot. Bonds4

About 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide

5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide (PubChem CID 73296595) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide
PubChem CID73296595
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN2CCCC12
InChIInChI=1S/C23H26N4O2/c1-14-4-7-18-16(11-14)22-19-3-2-9-26(19)10-8-20(22)27(18)13-21(28)15-5-6-17(23(24)29)25-12-15/h4-7,11-12,19,21,28H,2-3,8-10,13H2,1H3,(H2,24,29)
InChIKeyIGEDLSZKHSGIOU-UHFFFAOYSA-N
XLogP2.87
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide (CID 73296595) is 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide is Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN2CCCC12.
What is the InChIKey of 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is IGEDLSZKHSGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-4-7-18-16(11-14)22-19-3-2-9-26(19)10-8-20(22)27(18)13-21(28)15-5-6-17(23(24)29)25-12-15/h4-7,11-12,19,21,28H,2-3,8-10,13H2,1H3,(H2,24,29).
What are the key properties of 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide?
5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 73296595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).