5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one

C19H20BrN3O2 — CID 163782841

IUPAC5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one
SMILESCn1cc(Br)cc(Nc2ccc(C3CC34CCCCC4=O)cn2)c1=O
InChIInChI=1S/C19H20BrN3O2/c1-23-11-13(20)8-15(18(23)25)22-17-6-5-12(10-21-17)14-9-19(14)7-3-2-4-16(19)24/h5-6,8,10-11,14H,2-4,7,9H2,1H3,(H,21,22)
InChIKeyMQAZHXUOKGMWTF-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one

5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one (PubChem CID 163782841) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one
PubChem CID163782841
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one
SMILESCn1cc(Br)cc(Nc2ccc(C3CC34CCCCC4=O)cn2)c1=O
InChIInChI=1S/C19H20BrN3O2/c1-23-11-13(20)8-15(18(23)25)22-17-6-5-12(10-21-17)14-9-19(14)7-3-2-4-16(19)24/h5-6,8,10-11,14H,2-4,7,9H2,1H3,(H,21,22)
InChIKeyMQAZHXUOKGMWTF-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one (CID 163782841) is 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one is Cn1cc(Br)cc(Nc2ccc(C3CC34CCCCC4=O)cn2)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one?
The InChIKey is MQAZHXUOKGMWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-23-11-13(20)8-15(18(23)25)22-17-6-5-12(10-21-17)14-9-19(14)7-3-2-4-16(19)24/h5-6,8,10-11,14H,2-4,7,9H2,1H3,(H,21,22).
What are the key properties of 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one?
5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one has a molecular weight of 402.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[[5-(8-oxospiro[2.5]octan-2-yl)-2-pyridinyl]amino]pyridin-2-one is sourced from PubChem (CID 163782841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).