4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine

C18H22N8O — CID 155535746

IUPAC4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine
SMILESCN1CCOc2c1cnn1c(-c3ccnc(NC4CCNCC4)c3)nnc21
InChIInChI=1S/C18H22N8O/c1-25-8-9-27-16-14(25)11-21-26-17(23-24-18(16)26)12-2-7-20-15(10-12)22-13-3-5-19-6-4-13/h2,7,10-11,13,19H,3-6,8-9H2,1H3,(H,20,22)
InChIKeyIZJQQCIUDFNFFN-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.18
Rot. Bonds3

About 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine

4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine (PubChem CID 155535746) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine
PubChem CID155535746
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine
SMILESCN1CCOc2c1cnn1c(-c3ccnc(NC4CCNCC4)c3)nnc21
InChIInChI=1S/C18H22N8O/c1-25-8-9-27-16-14(25)11-21-26-17(23-24-18(16)26)12-2-7-20-15(10-12)22-13-3-5-19-6-4-13/h2,7,10-11,13,19H,3-6,8-9H2,1H3,(H,20,22)
InChIKeyIZJQQCIUDFNFFN-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine?
The IUPAC name of 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine (CID 155535746) is 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine is CN1CCOc2c1cnn1c(-c3ccnc(NC4CCNCC4)c3)nnc21.
What is the InChIKey of 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine?
The InChIKey is IZJQQCIUDFNFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-25-8-9-27-16-14(25)11-21-26-17(23-24-18(16)26)12-2-7-20-15(10-12)22-13-3-5-19-6-4-13/h2,7,10-11,13,19H,3-6,8-9H2,1H3,(H,20,22).
What are the key properties of 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine?
4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 155535746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).