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

C24H29BrN4O2 — CID 154942860

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
SMILESCC1CN(c2cccc(NC(=O)c3ccc(Br)cc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C24H29BrN4O2/c1-17-16-29(13-14-31-17)22-4-2-3-21(26-22)27-23(30)19-6-5-18(25)15-20(19)28-11-9-24(7-8-24)10-12-28/h2-6,15,17H,7-14,16H2,1H3,(H,26,27,30)
InChIKeyHZSMCTDVABIQNQ-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.70
Rot. Bonds4

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

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide (PubChem CID 154942860) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
PubChem CID154942860
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
SMILESCC1CN(c2cccc(NC(=O)c3ccc(Br)cc3N3CCC4(CC3)CC4)n2)CCO1
InChIInChI=1S/C24H29BrN4O2/c1-17-16-29(13-14-31-17)22-4-2-3-21(26-22)27-23(30)19-6-5-18(25)15-20(19)28-11-9-24(7-8-24)10-12-28/h2-6,15,17H,7-14,16H2,1H3,(H,26,27,30)
InChIKeyHZSMCTDVABIQNQ-UHFFFAOYSA-N
XLogP4.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-6-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 154942391
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)-6-fluoro-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 154942397
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428
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)-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)-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-[[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)-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-iodo-N-[5-methoxy-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178915
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
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfanylamino)-N-[5-methoxy-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 170178913

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide (CID 154942860) is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide is CC1CN(c2cccc(NC(=O)c3ccc(Br)cc3N3CCC4(CC3)CC4)n2)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide?
The InChIKey is HZSMCTDVABIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c1-17-16-29(13-14-31-17)22-4-2-3-21(26-22)27-23(30)19-6-5-18(25)15-20(19)28-11-9-24(7-8-24)10-12-28/h2-6,15,17H,7-14,16H2,1H3,(H,26,27,30).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide has a molecular weight of 485.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 154942860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).