6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide

C16H16ClN3O2 — CID 2161481

IUPAC6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O2/c17-15-6-5-12(11-18-15)16(21)19-13-3-1-2-4-14(13)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21)
InChIKeyOAXVLVAYDHVLJI-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.82
Rot. Bonds3

About 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide

6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide (PubChem CID 2161481) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
PubChem CID2161481
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O2/c17-15-6-5-12(11-18-15)16(21)19-13-3-1-2-4-14(13)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21)
InChIKeyOAXVLVAYDHVLJI-UHFFFAOYSA-N
XLogP2.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
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 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide (CID 2161481) is 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The InChIKey is OAXVLVAYDHVLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-15-6-5-12(11-18-15)16(21)19-13-3-1-2-4-14(13)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2161481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).