7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one

C17H18N6O2 — CID 87051726

IUPAC7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one
SMILESCc1ccc(C(=O)N2CCC(n3c(=O)n(C)c4cncnc43)C2)cn1
InChIInChI=1S/C17H18N6O2/c1-11-3-4-12(7-19-11)16(24)22-6-5-13(9-22)23-15-14(8-18-10-20-15)21(2)17(23)25/h3-4,7-8,10,13H,5-6,9H2,1-2H3
InChIKeyYJIWBAGZPBBZBW-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.92
Rot. Bonds2

About 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one

7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one (PubChem CID 87051726) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one.

Molecular Properties

Compound Name7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one
PubChem CID87051726
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one
SMILESCc1ccc(C(=O)N2CCC(n3c(=O)n(C)c4cncnc43)C2)cn1
InChIInChI=1S/C17H18N6O2/c1-11-3-4-12(7-19-11)16(24)22-6-5-13(9-22)23-15-14(8-18-10-20-15)21(2)17(23)25/h3-4,7-8,10,13H,5-6,9H2,1-2H3
InChIKeyYJIWBAGZPBBZBW-UHFFFAOYSA-N
XLogP0.92
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
CID 53181166
9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
CID 53181163
3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 91909913
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
CID 87051759
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 95585981
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(6-methyl-3-pyridinyl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185855
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
CID 79117582

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one?
The IUPAC name of 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one (CID 87051726) is 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one.
What is the SMILES notation for 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one?
The canonical SMILES for 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one is Cc1ccc(C(=O)N2CCC(n3c(=O)n(C)c4cncnc43)C2)cn1.
What is the InChIKey of 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one?
The InChIKey is YJIWBAGZPBBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-3-4-12(7-19-11)16(24)22-6-5-13(9-22)23-15-14(8-18-10-20-15)21(2)17(23)25/h3-4,7-8,10,13H,5-6,9H2,1-2H3.
What are the key properties of 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one?
7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one has a molecular weight of 338.37 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one is sourced from PubChem (CID 87051726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).