2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

C26H35N3O3S — CID 28809464

IUPAC2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccsc2)c(CC2CCCC2)n1CCCN1CCCC1=O
InChIInChI=1S/C26H35N3O3S/c1-19-15-23(30)25(26(32)27(2)17-21-10-14-33-18-21)22(16-20-7-3-4-8-20)29(19)13-6-12-28-11-5-9-24(28)31/h10,14-15,18,20H,3-9,11-13,16-17H2,1-2H3
InChIKeyIBCCXCODFANXTL-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.24
Rot. Bonds9

About 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 28809464) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
PubChem CID28809464
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccsc2)c(CC2CCCC2)n1CCCN1CCCC1=O
InChIInChI=1S/C26H35N3O3S/c1-19-15-23(30)25(26(32)27(2)17-21-10-14-33-18-21)22(16-20-7-3-4-8-20)29(19)13-6-12-28-11-5-9-24(28)31/h10,14-15,18,20H,3-9,11-13,16-17H2,1-2H3
InChIKeyIBCCXCODFANXTL-UHFFFAOYSA-N
XLogP4.24
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (CID 28809464) is 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2ccsc2)c(CC2CCCC2)n1CCCN1CCCC1=O.
What is the InChIKey of 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IBCCXCODFANXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-19-15-23(30)25(26(32)27(2)17-21-10-14-33-18-21)22(16-20-7-3-4-8-20)29(19)13-6-12-28-11-5-9-24(28)31/h10,14-15,18,20H,3-9,11-13,16-17H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 28809464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).