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

C17H19N5O2 — CID 75411216

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine
SMILESCOc1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cn1
InChIInChI=1S/C17H19N5O2/c1-23-16-5-4-12(8-20-16)7-18-9-13-10-24-11-15-21-14-3-2-6-19-17(14)22(13)15/h2-6,8,13,18H,7,9-11H2,1H3/t13-/m0/s1
InChIKeyDZVXGGHZTINHDF-ZDUSSCGKSA-N
MW325.37 g/mol
LogP1.70
Rot. Bonds5

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

N-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine (PubChem CID 75411216) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-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-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine
PubChem CID75411216
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine
SMILESCOc1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cn1
InChIInChI=1S/C17H19N5O2/c1-23-16-5-4-12(8-20-16)7-18-9-13-10-24-11-15-21-14-3-2-6-19-17(14)22(13)15/h2-6,8,13,18H,7,9-11H2,1H3/t13-/m0/s1
InChIKeyDZVXGGHZTINHDF-ZDUSSCGKSA-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-3-pyridinyl)methyl]-1-[(13S)-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-3-pyridinyl)methyl]-1-[(13S)-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-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine (CID 75411216) is N-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-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-3-pyridinyl)methyl]-1-[(13S)-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-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine is COc1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine?
The InChIKey is DZVXGGHZTINHDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-16-5-4-12(8-20-16)7-18-9-13-10-24-11-15-21-14-3-2-6-19-17(14)22(13)15/h2-6,8,13,18H,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-[(13S)-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-3-pyridinyl)methyl]-1-[(13S)-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 75411216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).