N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide

C19H23N7O5 — CID 171422309

About N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide

N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide (PubChem CID 171422309) has the molecular formula C19H23N7O5 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide
• PubChem CID: 171422309
• Molecular Formula: C19H23N7O5
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide
• SMILES: CCNC(=O)C1OC(n2cnc3c(NC)nc(-c4cncc(OC)c4)nc32)C(O)C1O
• InChI: InChI=1S/C19H23N7O5/c1-4-22-18(29)14-12(27)13(28)19(31-14)26-8-23-11-16(20-2)24-15(25-17(11)26)9-5-10(30-3)7-21-6-9/h5-8,12-14,19,27-28H,4H2,1-3H3,(H,22,29)(H,20,24,25)
• InChIKey: GYTYSVNQIYEFNV-UHFFFAOYSA-N
• XLogP: -0.31
• TPSA: 156.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide?

The IUPAC name of N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide (CID 171422309) is N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide.

What is the SMILES notation for N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide?

The canonical SMILES for N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide is CCNC(=O)C1OC(n2cnc3c(NC)nc(-c4cncc(OC)c4)nc32)C(O)C1O.

What is the InChIKey of N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide?

The InChIKey is GYTYSVNQIYEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O5/c1-4-22-18(29)14-12(27)13(28)19(31-14)26-8-23-11-16(20-2)24-15(25-17(11)26)9-5-10(30-3)7-21-6-9/h5-8,12-14,19,27-28H,4H2,1-3H3,(H,22,29)(H,20,24,25).

What are the key properties of N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide?

N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide has a molecular weight of 429.44 g/mol, XLogP of -0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3,4-dihydroxy-5-[2-(5-methoxy-3-pyridinyl)-6-(methylamino)purin-9-yl]oxolane-2-carboxamide is sourced from PubChem (CID 171422309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).