2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide

C23H28BrN5O2 — CID 154942391

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC1CN(c2cccc(NC(=O)c3ccc(Br)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C23H28BrN5O2/c1-16-15-29(13-14-31-16)20-4-2-3-19(26-20)27-22(30)17-5-6-18(24)25-21(17)28-11-9-23(7-8-23)10-12-28/h2-6,16H,7-15H2,1H3,(H,26,27,30)
InChIKeyYOIHATOBAWOSGA-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.10
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 154942391) has the molecular formula C23H28BrN5O2 and a molecular weight of 486.41 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID154942391
Molecular FormulaC23H28BrN5O2
Molecular Weight486.41 g/mol
Exact Mass485.14
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC1CN(c2cccc(NC(=O)c3ccc(Br)nc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C23H28BrN5O2/c1-16-15-29(13-14-31-16)20-4-2-3-19(26-20)27-22(30)17-5-6-18(24)25-21(17)28-11-9-23(7-8-23)10-12-28/h2-6,16H,7-15H2,1H3,(H,26,27,30)
InChIKeyYOIHATOBAWOSGA-UHFFFAOYSA-N
XLogP4.10
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-6-fluoro-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 154942397
2-(6-azaspiro[2.5]octan-6-yl)-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 162426817
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
CID 154942860
2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 167272401
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 154962799
2-(6-azaspiro[2.5]octan-6-yl)-6-(2-fluoro-1,3-dihydroxypropan-2-yl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-6-(1-fluoro-2-hydroxyethyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 163601434
4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 146718259
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 150630972
2-(6-azaspiro[2.5]octan-6-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
CID 154962897
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-[5-methoxy-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178915
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-[5-methoxy-6-[(2S)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178926
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 154942391) is 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide is CC1CN(c2cccc(NC(=O)c3ccc(Br)nc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YOIHATOBAWOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN5O2/c1-16-15-29(13-14-31-16)20-4-2-3-19(26-20)27-22(30)17-5-6-18(24)25-21(17)28-11-9-23(7-8-23)10-12-28/h2-6,16H,7-15H2,1H3,(H,26,27,30).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 486.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 154942391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).