(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C16H18N4O2S — CID 95967290

IUPAC(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCCc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1
InChIInChI=1S/C16H18N4O2S/c1-3-11-9-23-16(18-11)19-15(22)12-7-13(21)20(2)14(12)10-5-4-6-17-8-10/h4-6,8-9,12,14H,3,7H2,1-2H3,(H,18,19,22)/t12-,14+/m1/s1
InChIKeyLCKOHFCIIUKZGF-OCCSQVGLSA-N
MW330.41 g/mol
LogP2.26
Rot. Bonds4

About (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 95967290) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID95967290
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCCc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1
InChIInChI=1S/C16H18N4O2S/c1-3-11-9-23-16(18-11)19-15(22)12-7-13(21)20(2)14(12)10-5-4-6-17-8-10/h4-6,8-9,12,14H,3,7H2,1-2H3,(H,18,19,22)/t12-,14+/m1/s1
InChIKeyLCKOHFCIIUKZGF-OCCSQVGLSA-N
XLogP2.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 95967290) is (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CCc1csc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1.
What is the InChIKey of (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LCKOHFCIIUKZGF-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-11-9-23-16(18-11)19-15(22)12-7-13(21)20(2)14(12)10-5-4-6-17-8-10/h4-6,8-9,12,14H,3,7H2,1-2H3,(H,18,19,22)/t12-,14+/m1/s1.
What are the key properties of (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95967290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).