(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H17N3O2S — CID 95739094

IUPAC(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccncc1)[C@H]1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H17N3O2S/c20-15-4-3-14(19(15)11-13-2-1-9-22-13)16(21)18-10-12-5-7-17-8-6-12/h1-2,5-9,14H,3-4,10-11H2,(H,18,21)/t14-/m1/s1
InChIKeyMMGKBBYLMIFIPI-CQSZACIVSA-N
MW315.40 g/mol
LogP1.95
Rot. Bonds5

About (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 95739094) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID95739094
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccncc1)[C@H]1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H17N3O2S/c20-15-4-3-14(19(15)11-13-2-1-9-22-13)16(21)18-10-12-5-7-17-8-6-12/h1-2,5-9,14H,3-4,10-11H2,(H,18,21)/t14-/m1/s1
InChIKeyMMGKBBYLMIFIPI-CQSZACIVSA-N
XLogP1.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
(2S)-N-[(4-fluorophenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739130
5-oxo-N-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730999
N-[(3-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730995
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739107
(2S)-N-[3-(dimethylamino)propyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739080
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
(2R)-N-(1,3-benzodioxol-5-yl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739419
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416
N-(4-methoxyphenyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4679189

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 95739094) is (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccncc1)[C@H]1CCC(=O)N1Cc1cccs1.
What is the InChIKey of (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MMGKBBYLMIFIPI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15-4-3-14(19(15)11-13-2-1-9-22-13)16(21)18-10-12-5-7-17-8-6-12/h1-2,5-9,14H,3-4,10-11H2,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95739094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).