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

C16H19N3O2S — CID 24818196

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cccnc1
InChIInChI=1S/C16H19N3O2S/c20-16(13-3-1-5-17-11-13)18-12-14(15-4-2-10-22-15)19-6-8-21-9-7-19/h1-5,10-11,14H,6-9,12H2,(H,18,20)
InChIKeyVHJOKZTUPQOVID-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.95
Rot. Bonds5

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

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 24818196) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID24818196
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cccnc1
InChIInChI=1S/C16H19N3O2S/c20-16(13-3-1-5-17-11-13)18-12-14(15-4-2-10-22-15)19-6-8-21-9-7-19/h1-5,10-11,14H,6-9,12H2,(H,18,20)
InChIKeyVHJOKZTUPQOVID-UHFFFAOYSA-N
XLogP1.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 24818196) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cccnc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is VHJOKZTUPQOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(13-3-1-5-17-11-13)18-12-14(15-4-2-10-22-15)19-6-8-21-9-7-19/h1-5,10-11,14H,6-9,12H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24818196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).