[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C20H21N3O3S — CID 646158

IUPAC[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OC(C(=O)NC2CCCC2)c2cccnc2)cc2sccc21
InChIInChI=1S/C20H21N3O3S/c1-23-15-8-10-27-17(15)11-16(23)20(25)26-18(13-5-4-9-21-12-13)19(24)22-14-6-2-3-7-14/h4-5,8-12,14,18H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyIAPDTBGWRYTTBA-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.59
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 646158) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID646158
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OC(C(=O)NC2CCCC2)c2cccnc2)cc2sccc21
InChIInChI=1S/C20H21N3O3S/c1-23-15-8-10-27-17(15)11-16(23)20(25)26-18(13-5-4-9-21-12-13)19(24)22-14-6-2-3-7-14/h4-5,8-12,14,18H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyIAPDTBGWRYTTBA-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 646158) is [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)OC(C(=O)NC2CCCC2)c2cccnc2)cc2sccc21.
What is the InChIKey of [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is IAPDTBGWRYTTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23-15-8-10-27-17(15)11-16(23)20(25)26-18(13-5-4-9-21-12-13)19(24)22-14-6-2-3-7-14/h4-5,8-12,14,18H,2-3,6-7H2,1H3,(H,22,24).
What are the key properties of [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 646158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).