5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide

C13H18ClN3O3 — CID 119035014

IUPAC5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(CNC(=O)c1c[nH]cc(Cl)c1=O)N1CCOCC1
InChIInChI=1S/C13H18ClN3O3/c1-9(17-2-4-20-5-3-17)6-16-13(19)10-7-15-8-11(14)12(10)18/h7-9H,2-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyVCJGHUMCHJZDQG-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.48
Rot. Bonds4

About 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide

5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 119035014) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID119035014
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(CNC(=O)c1c[nH]cc(Cl)c1=O)N1CCOCC1
InChIInChI=1S/C13H18ClN3O3/c1-9(17-2-4-20-5-3-17)6-16-13(19)10-7-15-8-11(14)12(10)18/h7-9H,2-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyVCJGHUMCHJZDQG-UHFFFAOYSA-N
XLogP0.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354
N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
CID 95635716
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 47168421
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide (CID 119035014) is 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide is CC(CNC(=O)c1c[nH]cc(Cl)c1=O)N1CCOCC1.
What is the InChIKey of 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VCJGHUMCHJZDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-9(17-2-4-20-5-3-17)6-16-13(19)10-7-15-8-11(14)12(10)18/h7-9H,2-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119035014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).