1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione

C19H19N7O3 — CID 11269395

IUPAC1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione
SMILESCN1C(=O)C2NC(c3ccc(NCC(=O)c4cccnc4)nc3)=NC2N(C)C1=O
InChIInChI=1S/C19H19N7O3/c1-25-17-15(18(28)26(2)19(25)29)23-16(24-17)12-5-6-14(21-9-12)22-10-13(27)11-4-3-7-20-8-11/h3-9,15,17H,10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPYRZIHOZLIZLGJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP0.34
Rot. Bonds5

About 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione

1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione (PubChem CID 11269395) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione
PubChem CID11269395
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione
SMILESCN1C(=O)C2NC(c3ccc(NCC(=O)c4cccnc4)nc3)=NC2N(C)C1=O
InChIInChI=1S/C19H19N7O3/c1-25-17-15(18(28)26(2)19(25)29)23-16(24-17)12-5-6-14(21-9-12)22-10-13(27)11-4-3-7-20-8-11/h3-9,15,17H,10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyPYRZIHOZLIZLGJ-UHFFFAOYSA-N
XLogP0.34
TPSA119.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione with MolForge

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Related Compounds

1,3-dicyclopropyl-4-methyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]purine-2,6-dione
CID 67054534
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
2-tert-butylsulfanyl-1-pyridin-3-ylethanone
CID 65133934
1-pyridin-3-ylpentan-1-one
CID 12648543
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 28901850
(5S)-5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
CID 6991444
methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
CID 21058132
5-hydroxy-3-methyl-1-pyridin-3-ylimidazolidine-2,4-dione
CID 2847274
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione (CID 11269395) is 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione is CN1C(=O)C2NC(c3ccc(NCC(=O)c4cccnc4)nc3)=NC2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione?
The InChIKey is PYRZIHOZLIZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-25-17-15(18(28)26(2)19(25)29)23-16(24-17)12-5-6-14(21-9-12)22-10-13(27)11-4-3-7-20-8-11/h3-9,15,17H,10H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione?
1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione has a molecular weight of 393.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-[6-[(2-oxo-2-pyridin-3-ylethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione is sourced from PubChem (CID 11269395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).