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

C16H16ClN3O2 — CID 67239276

IUPAC5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cncc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-4,7-9,15,18H,5-6,10H2,(H,20,21)
InChIKeyDQIPENMWLDMNAT-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 67239276) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID67239276
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cncc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-4,7-9,15,18H,5-6,10H2,(H,20,21)
InChIKeyDQIPENMWLDMNAT-UHFFFAOYSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (CID 67239276) is 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is DQIPENMWLDMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-7-12(8-19-9-13)16(21)20-14-3-1-11(2-4-14)15-10-18-5-6-22-15/h1-4,7-9,15,18H,5-6,10H2,(H,20,21).
What are the key properties of 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67239276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).