1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione

C24H23N7O3 — CID 67054534

IUPAC1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione
SMILESCC12N=C(c3ccc(NCC(=O)c4cccnc4)nc3)N=C1C(=O)N(C1CC1)C(=O)N2C1CC1
InChIInChI=1S/C24H23N7O3/c1-24-20(22(33)30(16-5-6-16)23(34)31(24)17-7-8-17)28-21(29-24)15-4-9-19(26-12-15)27-13-18(32)14-3-2-10-25-11-14/h2-4,9-12,16-17H,5-8,13H2,1H3,(H,26,27)
InChIKeyAPYUZLYXGAIOCG-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.28
Rot. Bonds7

About 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione

1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione (PubChem CID 67054534) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione
PubChem CID67054534
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione
SMILESCC12N=C(c3ccc(NCC(=O)c4cccnc4)nc3)N=C1C(=O)N(C1CC1)C(=O)N2C1CC1
InChIInChI=1S/C24H23N7O3/c1-24-20(22(33)30(16-5-6-16)23(34)31(24)17-7-8-17)28-21(29-24)15-4-9-19(26-12-15)27-13-18(32)14-3-2-10-25-11-14/h2-4,9-12,16-17H,5-8,13H2,1H3,(H,26,27)
InChIKeyAPYUZLYXGAIOCG-UHFFFAOYSA-N
XLogP2.28
TPSA120.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione with MolForge

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Related Compounds

1,3-dicyclopropyl-4-methyl-8-[6-(methylamino)-3-pyridinyl]purine-2,6-dione
CID 67054361
1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione
CID 11269395
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 115268669
(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159913989
2-tert-butylsulfanyl-1-pyridin-3-ylethanone
CID 65133934
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925288
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
N-[2-[[(3R,4R)-3,4-dimethylpiperidine-1-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 124595352
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione?
The IUPAC name of 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione (CID 67054534) is 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione.
What is the SMILES notation for 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione?
The canonical SMILES for 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione is CC12N=C(c3ccc(NCC(=O)c4cccnc4)nc3)N=C1C(=O)N(C1CC1)C(=O)N2C1CC1.
What is the InChIKey of 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione?
The InChIKey is APYUZLYXGAIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-24-20(22(33)30(16-5-6-16)23(34)31(24)17-7-8-17)28-21(29-24)15-4-9-19(26-12-15)27-13-18(32)14-3-2-10-25-11-14/h2-4,9-12,16-17H,5-8,13H2,1H3,(H,26,27).
What are the key properties of 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione?
1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione has a molecular weight of 457.49 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione is sourced from PubChem (CID 67054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).