4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide

C13H18FN3O2 — CID 113367388

IUPAC4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ccnc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-2-4-16-13(18)11-9-19-7-6-17(11)10-3-5-15-12(14)8-10/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,16,18)
InChIKeyXHOXEABLBXDURW-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.95
Rot. Bonds4

About 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide

4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide (PubChem CID 113367388) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
PubChem CID113367388
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ccnc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-2-4-16-13(18)11-9-19-7-6-17(11)10-3-5-15-12(14)8-10/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,16,18)
InChIKeyXHOXEABLBXDURW-UHFFFAOYSA-N
XLogP0.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.95
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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Related Compounds

4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
CID 83097570
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83098188
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-[(4-hydrazinyl-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83105186
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide (CID 113367388) is 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1ccnc(F)c1.
What is the InChIKey of 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is XHOXEABLBXDURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-4-16-13(18)11-9-19-7-6-17(11)10-3-5-15-12(14)8-10/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,16,18).
What are the key properties of 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide?
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 113367388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).