2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide

C19H20BrClN4O — CID 154609106

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2N2CCC3(CC2)CC3)nc(Cl)n1
InChIInChI=1S/C19H20BrClN4O/c1-12-10-16(24-18(21)22-12)23-17(26)14-3-2-13(20)11-15(14)25-8-6-19(4-5-19)7-9-25/h2-3,10-11H,4-9H2,1H3,(H,22,23,24,26)
InChIKeyISTOMNRGPUYUCN-UHFFFAOYSA-N
MW435.75 g/mol
LogP4.83
Rot. Bonds3

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

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide (PubChem CID 154609106) has the molecular formula C19H20BrClN4O and a molecular weight of 435.75 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide
PubChem CID154609106
Molecular FormulaC19H20BrClN4O
Molecular Weight435.75 g/mol
Exact Mass434.05
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2N2CCC3(CC2)CC3)nc(Cl)n1
InChIInChI=1S/C19H20BrClN4O/c1-12-10-16(24-18(21)22-12)23-17(26)14-3-2-13(20)11-15(14)25-8-6-19(4-5-19)7-9-25/h2-3,10-11H,4-9H2,1H3,(H,22,23,24,26)
InChIKeyISTOMNRGPUYUCN-UHFFFAOYSA-N
XLogP4.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide
CID 170950059
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(3,3-difluorocyclobutyl)-4-methyl-2-pyridinyl]benzamide
CID 152943194
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-[[(2R)-2-hydroxypropyl]amino]-6-methylpyrimidin-4-yl]-4-methylsulfonylbenzamide
CID 149389645
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4-fluoro-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(methylsulfonimidoyl)benzamide
CID 154956005
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-4-yl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 147370060
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
CID 154942860
1-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanone
CID 82954204
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-4-yl]-4-(propylsulfonylamino)benzamide
CID 163979834
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-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid
CID 63535654
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(1-hydroxypropan-2-ylsulfanyl)benzamide
CID 147970166

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide (CID 154609106) is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2N2CCC3(CC2)CC3)nc(Cl)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide?
The InChIKey is ISTOMNRGPUYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN4O/c1-12-10-16(24-18(21)22-12)23-17(26)14-3-2-13(20)11-15(14)25-8-6-19(4-5-19)7-9-25/h2-3,10-11H,4-9H2,1H3,(H,22,23,24,26).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide has a molecular weight of 435.75 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-(2-chloro-6-methylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 154609106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).