4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide

C14H18FN3O3 — CID 83098188

IUPAC4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C14H18FN3O3/c1-2-5-16-13(19)11-9-21-7-6-18(11)14(20)10-3-4-12(15)17-8-10/h3-4,8,11H,2,5-7,9H2,1H3,(H,16,19)
InChIKeyMRZLXESEUBXWNS-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.59
Rot. Bonds4

About 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide

4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide (PubChem CID 83098188) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide
PubChem CID83098188
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C14H18FN3O3/c1-2-5-16-13(19)11-9-21-7-6-18(11)14(20)10-3-4-12(15)17-8-10/h3-4,8,11H,2,5-7,9H2,1H3,(H,16,19)
InChIKeyMRZLXESEUBXWNS-UHFFFAOYSA-N
XLogP0.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide (CID 83098188) is 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(=O)c1ccc(F)nc1.
What is the InChIKey of 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is MRZLXESEUBXWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-2-5-16-13(19)11-9-21-7-6-18(11)14(20)10-3-4-12(15)17-8-10/h3-4,8,11H,2,5-7,9H2,1H3,(H,16,19).
What are the key properties of 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide?
4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83098188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).