4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol

C17H24N4O2 — CID 54096009

IUPAC4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol
SMILESCc1nccc(CN(C)CN(C)Cc2ccnc(C)c2O)c1O
InChIInChI=1S/C17H24N4O2/c1-12-16(22)14(5-7-18-12)9-20(3)11-21(4)10-15-6-8-19-13(2)17(15)23/h5-8,22-23H,9-11H2,1-4H3
InChIKeyKXVRXAYKXDWGKL-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.03
Rot. Bonds6

About 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol

4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol (PubChem CID 54096009) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol
PubChem CID54096009
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol
SMILESCc1nccc(CN(C)CN(C)Cc2ccnc(C)c2O)c1O
InChIInChI=1S/C17H24N4O2/c1-12-16(22)14(5-7-18-12)9-20(3)11-21(4)10-15-6-8-19-13(2)17(15)23/h5-8,22-23H,9-11H2,1-4H3
InChIKeyKXVRXAYKXDWGKL-UHFFFAOYSA-N
XLogP2.03
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol?
The IUPAC name of 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol (CID 54096009) is 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol is Cc1nccc(CN(C)CN(C)Cc2ccnc(C)c2O)c1O.
What is the InChIKey of 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol?
The InChIKey is KXVRXAYKXDWGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-16(22)14(5-7-18-12)9-20(3)11-21(4)10-15-6-8-19-13(2)17(15)23/h5-8,22-23H,9-11H2,1-4H3.
What are the key properties of 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol?
4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol has a molecular weight of 316.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3-hydroxy-2-methyl-4-pyridinyl)methyl-methylamino]methyl-methylamino]methyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 54096009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).