N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide

C27H31N3O3 — CID 58968211

IUPACN-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1
InChIInChI=1S/C27H31N3O3/c1-28(33-3)27(31)25-18-30(26-8-5-4-7-23(25)26)13-6-12-29-14-11-22-20(17-29)15-19-9-10-21(32-2)16-24(19)22/h4-5,7-10,16,18H,6,11-15,17H2,1-3H3
InChIKeySIABFNLTMUOQTE-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.39
Rot. Bonds7

About N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide

N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide (PubChem CID 58968211) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide
PubChem CID58968211
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1
InChIInChI=1S/C27H31N3O3/c1-28(33-3)27(31)25-18-30(26-8-5-4-7-23(25)26)13-6-12-29-14-11-22-20(17-29)15-19-9-10-21(32-2)16-24(19)22/h4-5,7-10,16,18H,6,11-15,17H2,1-3H3
InChIKeySIABFNLTMUOQTE-UHFFFAOYSA-N
XLogP4.39
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?
The IUPAC name of N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide (CID 58968211) is N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide.
What is the SMILES notation for N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?
The canonical SMILES for N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide is COc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1.
What is the InChIKey of N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?
The InChIKey is SIABFNLTMUOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-28(33-3)27(31)25-18-30(26-8-5-4-7-23(25)26)13-6-12-29-14-11-22-20(17-29)15-19-9-10-21(32-2)16-24(19)22/h4-5,7-10,16,18H,6,11-15,17H2,1-3H3.
What are the key properties of N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?
N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide is sourced from PubChem (CID 58968211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).