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

C13H18ClN3O3 — CID 46233490

IUPAC5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c14-11-8-10(9-16-13(11)19)12(18)15-2-1-3-17-4-6-20-7-5-17/h8-9H,1-7H2,(H,15,18)(H,16,19)
InChIKeyOKAIVZADHHIHPI-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.48
Rot. Bonds5

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

5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46233490) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46233490
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c14-11-8-10(9-16-13(11)19)12(18)15-2-1-3-17-4-6-20-7-5-17/h8-9H,1-7H2,(H,15,18)(H,16,19)
InChIKeyOKAIVZADHHIHPI-UHFFFAOYSA-N
XLogP0.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 46233490) is 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OKAIVZADHHIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c14-11-8-10(9-16-13(11)19)12(18)15-2-1-3-17-4-6-20-7-5-17/h8-9H,1-7H2,(H,15,18)(H,16,19).
What are the key properties of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46233490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).