N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine

C20H23N7O — CID 66600620

IUPACN-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccnc2c1c(-c1ccnc(N)c1)c1ccnc(NCCN(C)C)n12
InChIInChI=1S/C20H23N7O/c1-26(2)11-10-25-20-24-8-5-14-17(13-4-7-22-16(21)12-13)18-15(28-3)6-9-23-19(18)27(14)20/h4-9,12H,10-11H2,1-3H3,(H2,21,22)(H,24,25)
InChIKeyLLDFMKRWIIZPHE-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.51
Rot. Bonds6

About N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine

N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 66600620) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID66600620
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccnc2c1c(-c1ccnc(N)c1)c1ccnc(NCCN(C)C)n12
InChIInChI=1S/C20H23N7O/c1-26(2)11-10-25-20-24-8-5-14-17(13-4-7-22-16(21)12-13)18-15(28-3)6-9-23-19(18)27(14)20/h4-9,12H,10-11H2,1-3H3,(H2,21,22)(H,24,25)
InChIKeyLLDFMKRWIIZPHE-UHFFFAOYSA-N
XLogP2.51
TPSA93.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine (CID 66600620) is N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccnc2c1c(-c1ccnc(N)c1)c1ccnc(NCCN(C)C)n12.
What is the InChIKey of N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LLDFMKRWIIZPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-26(2)11-10-25-20-24-8-5-14-17(13-4-7-22-16(21)12-13)18-15(28-3)6-9-23-19(18)27(14)20/h4-9,12H,10-11H2,1-3H3,(H2,21,22)(H,24,25).
What are the key properties of N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine?
N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 377.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-amino-4-pyridinyl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66600620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).