2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C17H19N3O2S — CID 4108861

IUPAC2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H19N3O2S/c1-17(16(22)19-11-13-4-2-8-18-10-13)7-6-15(21)20(17)12-14-5-3-9-23-14/h2-5,8-10H,6-7,11-12H2,1H3,(H,19,22)
InChIKeyUURWQQDTPOYEOL-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 4108861) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID4108861
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H19N3O2S/c1-17(16(22)19-11-13-4-2-8-18-10-13)7-6-15(21)20(17)12-14-5-3-9-23-14/h2-5,8-10H,6-7,11-12H2,1H3,(H,19,22)
InChIKeyUURWQQDTPOYEOL-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 4108861) is 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1.
What is the InChIKey of 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UURWQQDTPOYEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-17(16(22)19-11-13-4-2-8-18-10-13)7-6-15(21)20(17)12-14-5-3-9-23-14/h2-5,8-10H,6-7,11-12H2,1H3,(H,19,22).
What are the key properties of 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4108861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).