pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate

C25H26N4O3 — CID 68748101

IUPACpyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate
SMILESO=C(Oc1ccccn1)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1
InChIInChI=1S/C25H26N4O3/c30-25(32-24-5-1-2-9-27-24)29(14-13-28-11-3-4-12-28)17-22-16-21(18-31-22)19-6-7-23-20(15-19)8-10-26-23/h1-2,5-10,15-16,18,26H,3-4,11-14,17H2
InChIKeyUQHXSJBZVKEVKI-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.92
Rot. Bonds7

About pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate

pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate (PubChem CID 68748101) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate.

Molecular Properties

Compound Namepyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate
PubChem CID68748101
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Namepyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate
SMILESO=C(Oc1ccccn1)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1
InChIInChI=1S/C25H26N4O3/c30-25(32-24-5-1-2-9-27-24)29(14-13-28-11-3-4-12-28)17-22-16-21(18-31-22)19-6-7-23-20(15-19)8-10-26-23/h1-2,5-10,15-16,18,26H,3-4,11-14,17H2
InChIKeyUQHXSJBZVKEVKI-UHFFFAOYSA-N
XLogP4.92
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate?
The IUPAC name of pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate (CID 68748101) is pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate.
What is the SMILES notation for pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate?
The canonical SMILES for pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate is O=C(Oc1ccccn1)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1.
What is the InChIKey of pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate?
The InChIKey is UQHXSJBZVKEVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-25(32-24-5-1-2-9-27-24)29(14-13-28-11-3-4-12-28)17-22-16-21(18-31-22)19-6-7-23-20(15-19)8-10-26-23/h1-2,5-10,15-16,18,26H,3-4,11-14,17H2.
What are the key properties of pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate?
pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate has a molecular weight of 430.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl N-[[4-(1H-indol-5-yl)furan-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)carbamate is sourced from PubChem (CID 68748101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).