4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide

C12H13BrClN3O3 — CID 83097025

IUPAC4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H13BrClN3O3/c1-15-11(18)9-6-20-3-2-17(9)12(19)8-4-7(13)5-16-10(8)14/h4-5,9H,2-3,6H2,1H3,(H,15,18)
InChIKeyCVLSSEQBRNECQZ-UHFFFAOYSA-N
MW362.61 g/mol
LogP1.08
Rot. Bonds2

About 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide

4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83097025) has the molecular formula C12H13BrClN3O3 and a molecular weight of 362.61 g/mol. Its IUPAC name is 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
PubChem CID83097025
Molecular FormulaC12H13BrClN3O3
Molecular Weight362.61 g/mol
Exact Mass360.98
IUPAC Name4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H13BrClN3O3/c1-15-11(18)9-6-20-3-2-17(9)12(19)8-4-7(13)5-16-10(8)14/h4-5,9H,2-3,6H2,1H3,(H,15,18)
InChIKeyCVLSSEQBRNECQZ-UHFFFAOYSA-N
XLogP1.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 51.08
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

(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
4-(5,6-dichloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097617
4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83100375
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
methyl 1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-2-carboxylate
CID 62000438
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide (CID 83097025) is 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is CVLSSEQBRNECQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O3/c1-15-11(18)9-6-20-3-2-17(9)12(19)8-4-7(13)5-16-10(8)14/h4-5,9H,2-3,6H2,1H3,(H,15,18).
What are the key properties of 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide?
4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 362.61 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).