N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide

C20H22ClN3O2 — CID 141490357

IUPACN-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide
SMILESCCCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-3-6-11-26-24-14-15(16-7-4-5-8-19(16)24)12-20(25)23-18-9-10-22-13-17(18)21/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,22,23,25)
InChIKeyKMJDZQLLLXPRGH-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.49
Rot. Bonds8

About N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide

N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide (PubChem CID 141490357) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide
PubChem CID141490357
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide
SMILESCCCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-3-6-11-26-24-14-15(16-7-4-5-8-19(16)24)12-20(25)23-18-9-10-22-13-17(18)21/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,22,23,25)
InChIKeyKMJDZQLLLXPRGH-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide (CID 141490357) is N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide is CCCCCOn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide?
The InChIKey is KMJDZQLLLXPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-3-6-11-26-24-14-15(16-7-4-5-8-19(16)24)12-20(25)23-18-9-10-22-13-17(18)21/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,22,23,25).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide?
N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-(1-pentoxyindol-3-yl)acetamide is sourced from PubChem (CID 141490357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).