1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide

C14H21N3O3 — CID 74239871

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCOCC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-16-11-12(3-4-13(16)18)14(19)15-5-2-6-17-7-9-20-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,15,19)
InChIKeySOGKBIBVCVTAMJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.16
Rot. Bonds5

About 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide

1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide (PubChem CID 74239871) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide
PubChem CID74239871
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCOCC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-16-11-12(3-4-13(16)18)14(19)15-5-2-6-17-7-9-20-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,15,19)
InChIKeySOGKBIBVCVTAMJ-UHFFFAOYSA-N
XLogP-0.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide (CID 74239871) is 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCCCN2CCOCC2)ccc1=O.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide?
The InChIKey is SOGKBIBVCVTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-11-12(3-4-13(16)18)14(19)15-5-2-6-17-7-9-20-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,15,19).
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide?
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 74239871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).