[4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

C15H23N3O2 — CID 129305111

IUPAC[4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CC=C(c2ccc(N)nc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-6,10,14,19H,7-9H2,1-3H3,(H2,16,17)
InChIKeyIBHXGCCXRWAGBC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.84
Rot. Bonds3

About [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

[4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 129305111) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID129305111
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CC=C(c2ccc(N)nc2)CC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-6,10,14,19H,7-9H2,1-3H3,(H2,16,17)
InChIKeyIBHXGCCXRWAGBC-UHFFFAOYSA-N
XLogP1.84
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 129305111) is [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N1CC=C(c2ccc(N)nc2)CC1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is IBHXGCCXRWAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-6,10,14,19H,7-9H2,1-3H3,(H2,16,17).
What are the key properties of [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
[4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 277.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 129305111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).