4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide

C13H15Cl2N3O3 — CID 114918798

IUPAC4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H15Cl2N3O3/c1-2-16-12(19)10-7-21-4-3-18(10)13(20)8-5-11(15)17-6-9(8)14/h5-6,10H,2-4,7H2,1H3,(H,16,19)
InChIKeyGXOJDHSVBJCRCL-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.37
Rot. Bonds3

About 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide

4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 114918798) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
PubChem CID114918798
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Name4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H15Cl2N3O3/c1-2-16-12(19)10-7-21-4-3-18(10)13(20)8-5-11(15)17-6-9(8)14/h5-6,10H,2-4,7H2,1H3,(H,16,19)
InChIKeyGXOJDHSVBJCRCL-UHFFFAOYSA-N
XLogP1.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.37
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-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
4-[5-(aminomethyl)pyridine-2-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83096787
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-(4-amino-1-ethylpyrazole-5-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83099384
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide (CID 114918798) is 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is GXOJDHSVBJCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c1-2-16-12(19)10-7-21-4-3-18(10)13(20)8-5-11(15)17-6-9(8)14/h5-6,10H,2-4,7H2,1H3,(H,16,19).
What are the key properties of 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide?
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 114918798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).