5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

C13H17Cl2N3O2 — CID 43236315

IUPAC5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c14-11-8-10(9-17-12(11)15)13(19)16-2-1-3-18-4-6-20-7-5-18/h8-9H,1-7H2,(H,16,19)
InChIKeyTZOXTUGEEZYMTF-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.84
Rot. Bonds5

About 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 43236315) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID43236315
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O2/c14-11-8-10(9-17-12(11)15)13(19)16-2-1-3-18-4-6-20-7-5-18/h8-9H,1-7H2,(H,16,19)
InChIKeyTZOXTUGEEZYMTF-UHFFFAOYSA-N
XLogP1.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 43236315) is 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is TZOXTUGEEZYMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c14-11-8-10(9-17-12(11)15)13(19)16-2-1-3-18-4-6-20-7-5-18/h8-9H,1-7H2,(H,16,19).
What are the key properties of 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 43236315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).