5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide

C12H16ClN3O3 — CID 46233403

IUPAC5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c13-10-7-9(8-15-12(10)18)11(17)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18)
InChIKeyWSYUEMJNGGTOPW-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.09
Rot. Bonds4

About 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46233403) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46233403
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c13-10-7-9(8-15-12(10)18)11(17)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18)
InChIKeyWSYUEMJNGGTOPW-UHFFFAOYSA-N
XLogP0.09
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 46233403) is 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WSYUEMJNGGTOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-10-7-9(8-15-12(10)18)11(17)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18).
What are the key properties of 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46233403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).