6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide

C13H18BrN3O2 — CID 103879470

IUPAC6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H18BrN3O2/c1-10(9-17-5-7-19-8-6-17)15-13(18)11-3-2-4-12(14)16-11/h2-4,10H,5-9H2,1H3,(H,15,18)
InChIKeyOJWWONAGVCBBBM-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.29
Rot. Bonds4

About 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide

6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 103879470) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
PubChem CID103879470
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H18BrN3O2/c1-10(9-17-5-7-19-8-6-17)15-13(18)11-3-2-4-12(14)16-11/h2-4,10H,5-9H2,1H3,(H,15,18)
InChIKeyOJWWONAGVCBBBM-UHFFFAOYSA-N
XLogP1.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.29
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

6-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 62239352
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide
CID 51095427
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide (CID 103879470) is 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide is CC(CN1CCOCC1)NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is OJWWONAGVCBBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-10(9-17-5-7-19-8-6-17)15-13(18)11-3-2-4-12(14)16-11/h2-4,10H,5-9H2,1H3,(H,15,18).
What are the key properties of 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide?
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103879470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).