5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

C16H15Cl2N3O2 — CID 87320733

IUPAC5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2/c17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14/h1-4,7-8,14,19H,5-6,9H2,(H,21,22)
InChIKeyTYKADUHZARVWIN-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.30
Rot. Bonds3

About 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 87320733) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID87320733
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2/c17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14/h1-4,7-8,14,19H,5-6,9H2,(H,21,22)
InChIKeyTYKADUHZARVWIN-UHFFFAOYSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (CID 87320733) is 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is TYKADUHZARVWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14/h1-4,7-8,14,19H,5-6,9H2,(H,21,22).
What are the key properties of 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 87320733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).