6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

C12H16BrN3O2 — CID 103875005

IUPAC6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Br)n1
InChIInChI=1S/C12H16BrN3O2/c13-11-3-1-2-10(15-11)12(17)14-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,14,17)
InChIKeySBNFLLGFPPGXFP-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.91
Rot. Bonds4

About 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 103875005) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
PubChem CID103875005
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Br)n1
InChIInChI=1S/C12H16BrN3O2/c13-11-3-1-2-10(15-11)12(17)14-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,14,17)
InChIKeySBNFLLGFPPGXFP-UHFFFAOYSA-N
XLogP0.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.91
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

N-(2-morpholin-4-ylethyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095108
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 103879470
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
2-N-(2-morpholin-4-ylethyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109096478
6-N-(2-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096462
6-(4-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109095414
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
6-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096475
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
6-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096501

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (CID 103875005) is 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCOCC1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is SBNFLLGFPPGXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-11-3-1-2-10(15-11)12(17)14-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,14,17).
What are the key properties of 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103875005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).