N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide

C18H19N3O2S — CID 96515543

IUPACN-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCSc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cn1
InChIInChI=1S/C18H19N3O2S/c1-20(17(22)13-8-9-16(24-2)19-12-13)15-10-11-21(18(15)23)14-6-4-3-5-7-14/h3-9,12,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyREWVRNYIZHQDLP-OAHLLOKOSA-N
MW341.44 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide

N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 96515543) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID96515543
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCSc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cn1
InChIInChI=1S/C18H19N3O2S/c1-20(17(22)13-8-9-16(24-2)19-12-13)15-10-11-21(18(15)23)14-6-4-3-5-7-14/h3-9,12,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyREWVRNYIZHQDLP-OAHLLOKOSA-N
XLogP2.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 96515543) is N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide is CSc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cn1.
What is the InChIKey of N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is REWVRNYIZHQDLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-20(17(22)13-8-9-16(24-2)19-12-13)15-10-11-21(18(15)23)14-6-4-3-5-7-14/h3-9,12,15H,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide?
N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 96515543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).