2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide

C17H21N3O2S2 — CID 18150834

IUPAC2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H21N3O2S2/c1-23-17-13(4-2-6-18-17)16(21)19-12-14(15-5-3-11-24-15)20-7-9-22-10-8-20/h2-6,11,14H,7-10,12H2,1H3,(H,19,21)
InChIKeyYHOSVIHFWCWCBQ-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.67
Rot. Bonds6

About 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 18150834) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID18150834
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H21N3O2S2/c1-23-17-13(4-2-6-18-17)16(21)19-12-14(15-5-3-11-24-15)20-7-9-22-10-8-20/h2-6,11,14H,7-10,12H2,1H3,(H,19,21)
InChIKeyYHOSVIHFWCWCBQ-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 18150834) is 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is YHOSVIHFWCWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-23-17-13(4-2-6-18-17)16(21)19-12-14(15-5-3-11-24-15)20-7-9-22-10-8-20/h2-6,11,14H,7-10,12H2,1H3,(H,19,21).
What are the key properties of 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18150834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).