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

C22H26N2O — CID 67794925

IUPACN-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2
InChIInChI=1S/C22H26N2O/c1-3-4-5-8-22(19-7-6-11-23-15-19)18-10-9-17-13-21(24-16(2)25)14-20(17)12-18/h6-12,15,21H,3-5,13-14H2,1-2H3,(H,24,25)
InChIKeyJZXYQTBIZLBJJM-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.31
Rot. Bonds6

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

N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 67794925) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID67794925
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2
InChIInChI=1S/C22H26N2O/c1-3-4-5-8-22(19-7-6-11-23-15-19)18-10-9-17-13-21(24-16(2)25)14-20(17)12-18/h6-12,15,21H,3-5,13-14H2,1-2H3,(H,24,25)
InChIKeyJZXYQTBIZLBJJM-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide (CID 67794925) is N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide is CCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2.
What is the InChIKey of N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is JZXYQTBIZLBJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-3-4-5-8-22(19-7-6-11-23-15-19)18-10-9-17-13-21(24-16(2)25)14-20(17)12-18/h6-12,15,21H,3-5,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[5-(1-pyridin-3-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 4.31, 6 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-ylhex-1-enyl)-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 67794925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).