2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide

C16H25N3OS — CID 51091427

IUPAC2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccnc(SCC)c2)CC1
InChIInChI=1S/C16H25N3OS/c1-3-9-19-10-6-14(7-11-19)18-16(20)13-5-8-17-15(12-13)21-4-2/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,18,20)
InChIKeyWGIPKRIPLAEWQE-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.80
Rot. Bonds6

About 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide

2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 51091427) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID51091427
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccnc(SCC)c2)CC1
InChIInChI=1S/C16H25N3OS/c1-3-9-19-10-6-14(7-11-19)18-16(20)13-5-8-17-15(12-13)21-4-2/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,18,20)
InChIKeyWGIPKRIPLAEWQE-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide (CID 51091427) is 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide is CCCN1CCC(NC(=O)c2ccnc(SCC)c2)CC1.
What is the InChIKey of 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is WGIPKRIPLAEWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-9-19-10-6-14(7-11-19)18-16(20)13-5-8-17-15(12-13)21-4-2/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide?
2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51091427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).