3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide

C24H28N4O — CID 71007695

IUPAC3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide
SMILESCc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN2CCCC12
InChIInChI=1S/C24H28N4O/c1-15-5-8-20-18(12-15)23-21-4-3-10-27(21)11-9-22(23)28(20)14-19(24(25)29)17-7-6-16(2)26-13-17/h5-8,12-13,19,21H,3-4,9-11,14H2,1-2H3,(H2,25,29)
InChIKeyKJMLKBYMJSLHHA-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.62
Rot. Bonds4

About 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide

3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide (PubChem CID 71007695) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide
PubChem CID71007695
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide
SMILESCc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN2CCCC12
InChIInChI=1S/C24H28N4O/c1-15-5-8-20-18(12-15)23-21-4-3-10-27(21)11-9-22(23)28(20)14-19(24(25)29)17-7-6-16(2)26-13-17/h5-8,12-13,19,21H,3-4,9-11,14H2,1-2H3,(H2,25,29)
InChIKeyKJMLKBYMJSLHHA-UHFFFAOYSA-N
XLogP3.62
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide (CID 71007695) is 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide is Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccc(C)nc2)CCN2CCCC12.
What is the InChIKey of 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide?
The InChIKey is KJMLKBYMJSLHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15-5-8-20-18(12-15)23-21-4-3-10-27(21)11-9-22(23)28(20)14-19(24(25)29)17-7-6-16(2)26-13-17/h5-8,12-13,19,21H,3-4,9-11,14H2,1-2H3,(H2,25,29).
What are the key properties of 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide?
3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide has a molecular weight of 388.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 71007695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).