6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

C16H25N3O — CID 134436247

IUPAC6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCOc1ccc(CN2C3CC2CN(C(C)C)C3)c(C)n1
InChIInChI=1S/C16H25N3O/c1-11(2)18-9-14-7-15(10-18)19(14)8-13-5-6-16(20-4)17-12(13)3/h5-6,11,14-15H,7-10H2,1-4H3
InChIKeyPAPYGJIHMOWZSP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.07
Rot. Bonds4

About 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134436247) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134436247
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCOc1ccc(CN2C3CC2CN(C(C)C)C3)c(C)n1
InChIInChI=1S/C16H25N3O/c1-11(2)18-9-14-7-15(10-18)19(14)8-13-5-6-16(20-4)17-12(13)3/h5-6,11,14-15H,7-10H2,1-4H3
InChIKeyPAPYGJIHMOWZSP-UHFFFAOYSA-N
XLogP2.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 134436247) is 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is COc1ccc(CN2C3CC2CN(C(C)C)C3)c(C)n1.
What is the InChIKey of 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is PAPYGJIHMOWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)18-9-14-7-15(10-18)19(14)8-13-5-6-16(20-4)17-12(13)3/h5-6,11,14-15H,7-10H2,1-4H3.
What are the key properties of 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 275.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134436247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).