5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide

C16H17Cl2N3O2S — CID 4579290

IUPAC5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O2S/c17-12-8-11(9-19-15(12)18)16(22)20-10-13(14-2-1-7-24-14)21-3-5-23-6-4-21/h1-2,7-9,13H,3-6,10H2,(H,20,22)
InChIKeyIGIFRMJKNOUBCT-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.25
Rot. Bonds5

About 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 4579290) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID4579290
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O2S/c17-12-8-11(9-19-15(12)18)16(22)20-10-13(14-2-1-7-24-14)21-3-5-23-6-4-21/h1-2,7-9,13H,3-6,10H2,(H,20,22)
InChIKeyIGIFRMJKNOUBCT-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 4579290) is 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is IGIFRMJKNOUBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c17-12-8-11(9-19-15(12)18)16(22)20-10-13(14-2-1-7-24-14)21-3-5-23-6-4-21/h1-2,7-9,13H,3-6,10H2,(H,20,22).
What are the key properties of 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 386.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4579290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).