[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate

C19H21N3O2 — CID 15292697

IUPAC[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(ccn2CCCCc2ccncc2)c1
InChIInChI=1S/C19H21N3O2/c1-20-19(23)24-17-5-6-18-16(14-17)9-13-22(18)12-3-2-4-15-7-10-21-11-8-15/h5-11,13-14H,2-4,12H2,1H3,(H,20,23)
InChIKeyADBJTLVNVMBHTA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.78
Rot. Bonds6

About [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate

[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate (PubChem CID 15292697) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate
PubChem CID15292697
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(ccn2CCCCc2ccncc2)c1
InChIInChI=1S/C19H21N3O2/c1-20-19(23)24-17-5-6-18-16(14-17)9-13-22(18)12-3-2-4-15-7-10-21-11-8-15/h5-11,13-14H,2-4,12H2,1H3,(H,20,23)
InChIKeyADBJTLVNVMBHTA-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.78
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 [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate?
The IUPAC name of [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate (CID 15292697) is [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate.
What is the SMILES notation for [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate?
The canonical SMILES for [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(ccn2CCCCc2ccncc2)c1.
What is the InChIKey of [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate?
The InChIKey is ADBJTLVNVMBHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20-19(23)24-17-5-6-18-16(14-17)9-13-22(18)12-3-2-4-15-7-10-21-11-8-15/h5-11,13-14H,2-4,12H2,1H3,(H,20,23).
What are the key properties of [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate?
[1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate has a molecular weight of 323.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-pyridin-4-ylbutyl)indol-5-yl] N-methylcarbamate is sourced from PubChem (CID 15292697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).