N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide

C18H19N3O — CID 131952895

IUPACN-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
SMILESCC(=O)NCCCc1cc(-c2c[nH]c3ccccc23)ccn1
InChIInChI=1S/C18H19N3O/c1-13(22)19-9-4-5-15-11-14(8-10-20-15)17-12-21-18-7-3-2-6-16(17)18/h2-3,6-8,10-12,21H,4-5,9H2,1H3,(H,19,22)
InChIKeyMSHSZCJHCULHMC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds5

About N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide

N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide (PubChem CID 131952895) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
PubChem CID131952895
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide
SMILESCC(=O)NCCCc1cc(-c2c[nH]c3ccccc23)ccn1
InChIInChI=1S/C18H19N3O/c1-13(22)19-9-4-5-15-11-14(8-10-20-15)17-12-21-18-7-3-2-6-16(17)18/h2-3,6-8,10-12,21H,4-5,9H2,1H3,(H,19,22)
InChIKeyMSHSZCJHCULHMC-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
N-[3-(3-phenyl-1H-indol-2-yl)propyl]acetamide
CID 71418732
3-pyridin-4-yl-1H-indole
CID 159430533
1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
CID 174779450
N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide
CID 90008913
[(E)-1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853578
[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853573
(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide?
The IUPAC name of N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide (CID 131952895) is N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide?
The canonical SMILES for N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide is CC(=O)NCCCc1cc(-c2c[nH]c3ccccc23)ccn1.
What is the InChIKey of N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide?
The InChIKey is MSHSZCJHCULHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(22)19-9-4-5-15-11-14(8-10-20-15)17-12-21-18-7-3-2-6-16(17)18/h2-3,6-8,10-12,21H,4-5,9H2,1H3,(H,19,22).
What are the key properties of N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide?
N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indol-3-yl)-2-pyridinyl]propyl]acetamide is sourced from PubChem (CID 131952895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).