N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine

C17H19N5O2 — CID 162797844

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine
SMILESCOc1cccc(CNCC2COCc3nc4cccnc4n32)n1
InChIInChI=1S/C17H19N5O2/c1-23-16-6-2-4-12(20-16)8-18-9-13-10-24-11-15-21-14-5-3-7-19-17(14)22(13)15/h2-7,13,18H,8-11H2,1H3
InChIKeyXKYQMOJWYRYXBF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.70
Rot. Bonds5

About N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine

N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine (PubChem CID 162797844) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine
PubChem CID162797844
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine
SMILESCOc1cccc(CNCC2COCc3nc4cccnc4n32)n1
InChIInChI=1S/C17H19N5O2/c1-23-16-6-2-4-12(20-16)8-18-9-13-10-24-11-15-21-14-5-3-7-19-17(14)22(13)15/h2-7,13,18H,8-11H2,1H3
InChIKeyXKYQMOJWYRYXBF-UHFFFAOYSA-N
XLogP1.70
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine (CID 162797844) is N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine is COc1cccc(CNCC2COCc3nc4cccnc4n32)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine?
The InChIKey is XKYQMOJWYRYXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-16-6-2-4-12(20-16)8-18-9-13-10-24-11-15-21-14-5-3-7-19-17(14)22(13)15/h2-7,13,18H,8-11H2,1H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine?
N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine has a molecular weight of 325.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-1-(11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl)methanamine is sourced from PubChem (CID 162797844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).