N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C17H20N4OS — CID 71935537

IUPACN-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCSc1ccc(NC(=O)N2CCCC2c2ccncc2)cn1
InChIInChI=1S/C17H20N4OS/c1-2-23-16-6-5-14(12-19-16)20-17(22)21-11-3-4-15(21)13-7-9-18-10-8-13/h5-10,12,15H,2-4,11H2,1H3,(H,20,22)
InChIKeyRPUJQQXTUNNUDZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.96
Rot. Bonds4

About N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 71935537) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID71935537
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCSc1ccc(NC(=O)N2CCCC2c2ccncc2)cn1
InChIInChI=1S/C17H20N4OS/c1-2-23-16-6-5-14(12-19-16)20-17(22)21-11-3-4-15(21)13-7-9-18-10-8-13/h5-10,12,15H,2-4,11H2,1H3,(H,20,22)
InChIKeyRPUJQQXTUNNUDZ-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 71935537) is N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCSc1ccc(NC(=O)N2CCCC2c2ccncc2)cn1.
What is the InChIKey of N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is RPUJQQXTUNNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-23-16-6-5-14(12-19-16)20-17(22)21-11-3-4-15(21)13-7-9-18-10-8-13/h5-10,12,15H,2-4,11H2,1H3,(H,20,22).
What are the key properties of N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylsulfanyl-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71935537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).