2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol

C25H35N9O2 — CID 90275251

IUPAC2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(CN2CCN(Cc3ccc(O)c(N)n3)CCN(Cc3ccc(O)c(N)n3)CC2)nc1N
InChIInChI=1S/C25H35N9O2/c1-17-2-3-18(29-23(17)26)14-32-8-10-33(15-19-4-6-21(35)24(27)30-19)12-13-34(11-9-32)16-20-5-7-22(36)25(28)31-20/h2-7,35-36H,8-16H2,1H3,(H2,26,29)(H2,27,30)(H2,28,31)
InChIKeyPOOKJEHOIZOORD-UHFFFAOYSA-N
MW493.62 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol

2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol (PubChem CID 90275251) has the molecular formula C25H35N9O2 and a molecular weight of 493.62 g/mol. Its IUPAC name is 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol
PubChem CID90275251
Molecular FormulaC25H35N9O2
Molecular Weight493.62 g/mol
Exact Mass493.29
IUPAC Name2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(CN2CCN(Cc3ccc(O)c(N)n3)CCN(Cc3ccc(O)c(N)n3)CC2)nc1N
InChIInChI=1S/C25H35N9O2/c1-17-2-3-18(29-23(17)26)14-32-8-10-33(15-19-4-6-21(35)24(27)30-19)12-13-34(11-9-32)16-20-5-7-22(36)25(28)31-20/h2-7,35-36H,8-16H2,1H3,(H2,26,29)(H2,27,30)(H2,28,31)
InChIKeyPOOKJEHOIZOORD-UHFFFAOYSA-N
XLogP1.16
TPSA166.91 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.62
LogP ≤ 51.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol (CID 90275251) is 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol is Cc1ccc(CN2CCN(Cc3ccc(O)c(N)n3)CCN(Cc3ccc(O)c(N)n3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol?
The InChIKey is POOKJEHOIZOORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N9O2/c1-17-2-3-18(29-23(17)26)14-32-8-10-33(15-19-4-6-21(35)24(27)30-19)12-13-34(11-9-32)16-20-5-7-22(36)25(28)31-20/h2-7,35-36H,8-16H2,1H3,(H2,26,29)(H2,27,30)(H2,28,31).
What are the key properties of 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol?
2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol has a molecular weight of 493.62 g/mol, XLogP of 1.16, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[4-[(6-amino-5-hydroxy-2-pyridinyl)methyl]-7-[(6-amino-5-methyl-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 90275251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).