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

C13H19N3O3 — CID 43091005

IUPACN-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O3/c17-12-3-2-11(10-15-12)13(18)14-4-1-5-16-6-8-19-9-7-16/h2-3,10H,1,4-9H2,(H,14,18)(H,15,17)
InChIKeyTULLDPWIIXTXPB-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.17
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 43091005) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID43091005
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O3/c17-12-3-2-11(10-15-12)13(18)14-4-1-5-16-6-8-19-9-7-16/h2-3,10H,1,4-9H2,(H,14,18)(H,15,17)
InChIKeyTULLDPWIIXTXPB-UHFFFAOYSA-N
XLogP-0.17
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.17
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 N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 43091005) is N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is TULLDPWIIXTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12-3-2-11(10-15-12)13(18)14-4-1-5-16-6-8-19-9-7-16/h2-3,10H,1,4-9H2,(H,14,18)(H,15,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43091005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).