N-[(2-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 75411215

IUPACN-[(2-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
SMILESCOc1ncccc1CNC[C@H]1COCc2nc3cccnc3n21
InChIInChI=1S/C17H19N5O2/c1-23-17-12(4-2-7-20-17)8-18-9-13-10-24-11-15-21-14-5-3-6-19-16(14)22(13)15/h2-7,13,18H,8-11H2,1H3/t13-/m0/s1
InChIKeyRRXUBFVNFLDWKN-ZDUSSCGKSA-N
MW325.37 g/mol
LogP1.70
Rot. Bonds5

About N-[(2-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-[(2-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 75411215) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2-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-[(2-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 CID75411215
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(2-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
SMILESCOc1ncccc1CNC[C@H]1COCc2nc3cccnc3n21
InChIInChI=1S/C17H19N5O2/c1-23-17-12(4-2-7-20-17)8-18-9-13-10-24-11-15-21-14-5-3-6-19-16(14)22(13)15/h2-7,13,18H,8-11H2,1H3/t13-/m0/s1
InChIKeyRRXUBFVNFLDWKN-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-[(2-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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Related Compounds

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
N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]propan-2-amine
CID 75411208
1-(8-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 162798405
1-[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75411044
1-[(4S)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75411120
4-cyano-N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]benzenesulfonamide
CID 75410976
1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 162797885
methyl 4-[(pyridin-3-ylmethylamino)methyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxylate
CID 162907822
1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 162994637
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 55030405
N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 75411042

Frequently Asked Questions

What is the IUPAC name of N-[(2-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-[(2-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 75411215) is N-[(2-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-[(2-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-[(2-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 COc1ncccc1CNC[C@H]1COCc2nc3cccnc3n21.
What is the InChIKey of N-[(2-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 RRXUBFVNFLDWKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-17-12(4-2-7-20-17)8-18-9-13-10-24-11-15-21-14-5-3-6-19-16(14)22(13)15/h2-7,13,18H,8-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2-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-[(2-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-[(2-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 75411215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).