2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide

C16H17N7O2 — CID 136553752

IUPAC2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
SMILESCC(C(=O)Nc1cnc2c(c1)COCC2)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H17N7O2/c1-9(23-8-21-13-14(17)19-7-20-15(13)23)16(24)22-11-4-10-6-25-3-2-12(10)18-5-11/h4-5,7-9H,2-3,6H2,1H3,(H,22,24)(H2,17,19,20)
InChIKeyVJESIBBHQIXYMD-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.08
Rot. Bonds3

About 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide

2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide (PubChem CID 136553752) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
PubChem CID136553752
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
SMILESCC(C(=O)Nc1cnc2c(c1)COCC2)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H17N7O2/c1-9(23-8-21-13-14(17)19-7-20-15(13)23)16(24)22-11-4-10-6-25-3-2-12(10)18-5-11/h4-5,7-9H,2-3,6H2,1H3,(H,22,24)(H2,17,19,20)
InChIKeyVJESIBBHQIXYMD-UHFFFAOYSA-N
XLogP1.08
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide with MolForge

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Related Compounds

2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide
CID 136553586
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide
CID 167947694
2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
CID 136553672
2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 138034324
2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 166244455
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
methyl 2-[2-(6-aminopurin-9-yl)propanoylamino]-4,4-dimethylpentanoate
CID 146107744
2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 154783795
3-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-1-methylurea
CID 146143348
1-(6-aminopurin-9-yl)ethanone
CID 56662952
N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 167951972
2-[[2-(6-aminopurin-9-yl)-1-anilinopropylidene]amino]-6-fluorobenzenesulfinic acid
CID 130337558

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide (CID 136553752) is 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide is CC(C(=O)Nc1cnc2c(c1)COCC2)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide?
The InChIKey is VJESIBBHQIXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-9(23-8-21-13-14(17)19-7-20-15(13)23)16(24)22-11-4-10-6-25-3-2-12(10)18-5-11/h4-5,7-9H,2-3,6H2,1H3,(H,22,24)(H2,17,19,20).
What are the key properties of 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide?
2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide has a molecular weight of 339.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide is sourced from PubChem (CID 136553752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).