N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C26H34N8O — CID 58300046

IUPACN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCOCC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21
InChIInChI=1S/C26H34N8O/c1-26(2,17-35-5)34-22-16-27-11-8-20(22)21-15-29-25(31-24(21)34)30-23-7-6-19(14-28-23)33-12-9-18(10-13-33)32(3)4/h6-8,11,14-16,18H,9-10,12-13,17H2,1-5H3,(H,28,29,30,31)
InChIKeyJPZMCGSFDCTZDC-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.03
Rot. Bonds7

About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58300046) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58300046
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCOCC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21
InChIInChI=1S/C26H34N8O/c1-26(2,17-35-5)34-22-16-27-11-8-20(22)21-15-29-25(31-24(21)34)30-23-7-6-19(14-28-23)33-12-9-18(10-13-33)32(3)4/h6-8,11,14-16,18H,9-10,12-13,17H2,1-5H3,(H,28,29,30,31)
InChIKeyJPZMCGSFDCTZDC-UHFFFAOYSA-N
XLogP4.03
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58300046) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is COCC(C)(C)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is JPZMCGSFDCTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-26(2,17-35-5)34-22-16-27-11-8-20(22)21-15-29-25(31-24(21)34)30-23-7-6-19(14-28-23)33-12-9-18(10-13-33)32(3)4/h6-8,11,14-16,18H,9-10,12-13,17H2,1-5H3,(H,28,29,30,31).
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 474.61 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1-methoxy-2-methylpropan-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 58300046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).