N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

C25H24N4O3 — CID 135599727

IUPACN-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)/N=N/c1c(O)n(CN2CCCC2)c2ccccc12
InChIInChI=1S/C25H24N4O3/c30-23(16-32-20-12-11-18-7-1-2-8-19(18)15-20)26-27-24-21-9-3-4-10-22(21)29(25(24)31)17-28-13-5-6-14-28/h1-4,7-12,15,31H,5-6,13-14,16-17H2/b27-26+
InChIKeyNYQKBDFMQKLXJI-CYYJNZCTSA-N
MW428.49 g/mol
LogP5.24
Rot. Bonds6

About N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (PubChem CID 135599727) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
PubChem CID135599727
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)/N=N/c1c(O)n(CN2CCCC2)c2ccccc12
InChIInChI=1S/C25H24N4O3/c30-23(16-32-20-12-11-18-7-1-2-8-19(18)15-20)26-27-24-21-9-3-4-10-22(21)29(25(24)31)17-28-13-5-6-14-28/h1-4,7-12,15,31H,5-6,13-14,16-17H2/b27-26+
InChIKeyNYQKBDFMQKLXJI-CYYJNZCTSA-N
XLogP5.24
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (CID 135599727) is N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)/N=N/c1c(O)n(CN2CCCC2)c2ccccc12.
What is the InChIKey of N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The InChIKey is NYQKBDFMQKLXJI-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23(16-32-20-12-11-18-7-1-2-8-19(18)15-20)26-27-24-21-9-3-4-10-22(21)29(25(24)31)17-28-13-5-6-14-28/h1-4,7-12,15,31H,5-6,13-14,16-17H2/b27-26+.
What are the key properties of N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide has a molecular weight of 428.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 135599727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).