5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C17H19N3O2S — CID 29087477

IUPAC5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)s1
InChIInChI=1S/C17H19N3O2S/c1-12-4-6-15(23-12)17(22)20(10-13-3-2-8-18-9-13)11-14-5-7-16(21)19-14/h2-4,6,8-9,14H,5,7,10-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyHVCGNQMMOQHZEU-AWEZNQCLSA-N
MW329.43 g/mol
LogP2.37
Rot. Bonds5

About 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 29087477) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID29087477
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)s1
InChIInChI=1S/C17H19N3O2S/c1-12-4-6-15(23-12)17(22)20(10-13-3-2-8-18-9-13)11-14-5-7-16(21)19-14/h2-4,6,8-9,14H,5,7,10-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyHVCGNQMMOQHZEU-AWEZNQCLSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
2-butyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42101579
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50965952
N-(3-chloro-4-fluorophenyl)-N'-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 50971008
N-(3-chloro-4-fluorophenyl)-N'-[(5-oxopyrrolidin-2-yl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 75592718
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215
(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925025
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 50980890
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 91839800

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 29087477) is 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is Cc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)s1.
What is the InChIKey of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HVCGNQMMOQHZEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-4-6-15(23-12)17(22)20(10-13-3-2-8-18-9-13)11-14-5-7-16(21)19-14/h2-4,6,8-9,14H,5,7,10-11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 29087477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).