N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide

C23H28N2O — CID 57057909

IUPACN-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCCCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2
InChIInChI=1S/C23H28N2O/c1-3-4-5-6-9-23(20-8-7-12-24-16-20)19-11-10-18-14-22(25-17(2)26)15-21(18)13-19/h7-13,16,22H,3-6,14-15H2,1-2H3,(H,25,26)
InChIKeyDTGXOPGXERZYEG-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.70
Rot. Bonds7

About N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide

N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 57057909) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID57057909
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCCCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2
InChIInChI=1S/C23H28N2O/c1-3-4-5-6-9-23(20-8-7-12-24-16-20)19-11-10-18-14-22(25-17(2)26)15-21(18)13-19/h7-13,16,22H,3-6,14-15H2,1-2H3,(H,25,26)
InChIKeyDTGXOPGXERZYEG-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide 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-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide (CID 57057909) is N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide is CCCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2.
What is the InChIKey of N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is DTGXOPGXERZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-3-4-5-6-9-23(20-8-7-12-24-16-20)19-11-10-18-14-22(25-17(2)26)15-21(18)13-19/h7-13,16,22H,3-6,14-15H2,1-2H3,(H,25,26).
What are the key properties of N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-pyridin-3-ylhept-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 57057909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).