2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide

C20H24N4O2 — CID 46985494

IUPAC2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide
SMILESCc1c(CNCCCOc2cccnc2)c2ccccc2n1CC(N)=O
InChIInChI=1S/C20H24N4O2/c1-15-18(13-23-10-5-11-26-16-6-4-9-22-12-16)17-7-2-3-8-19(17)24(15)14-20(21)25/h2-4,6-9,12,23H,5,10-11,13-14H2,1H3,(H2,21,25)
InChIKeyBESKOUFQRUYDAN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.39
Rot. Bonds9

About 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide

2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide (PubChem CID 46985494) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide
PubChem CID46985494
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide
SMILESCc1c(CNCCCOc2cccnc2)c2ccccc2n1CC(N)=O
InChIInChI=1S/C20H24N4O2/c1-15-18(13-23-10-5-11-26-16-6-4-9-22-12-16)17-7-2-3-8-19(17)24(15)14-20(21)25/h2-4,6-9,12,23H,5,10-11,13-14H2,1H3,(H2,21,25)
InChIKeyBESKOUFQRUYDAN-UHFFFAOYSA-N
XLogP2.39
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide (CID 46985494) is 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide is Cc1c(CNCCCOc2cccnc2)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide?
The InChIKey is BESKOUFQRUYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-18(13-23-10-5-11-26-16-6-4-9-22-12-16)17-7-2-3-8-19(17)24(15)14-20(21)25/h2-4,6-9,12,23H,5,10-11,13-14H2,1H3,(H2,21,25).
What are the key properties of 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide?
2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 46985494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).