8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C24H27N7 — CID 66549076

IUPAC8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC1CCC(n2c3cnccc3c3cnc(Nc4cc5c(cn4)CCNC5)nc32)CC1
InChIInChI=1S/C24H27N7/c1-15-2-4-18(5-3-15)31-21-14-26-9-7-19(21)20-13-28-24(30-23(20)31)29-22-10-17-11-25-8-6-16(17)12-27-22/h7,9-10,12-15,18,25H,2-6,8,11H2,1H3,(H,27,28,29,30)
InChIKeyPADUNTTWTYUKQZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.51
Rot. Bonds3

About 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 66549076) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 Name8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID66549076
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC1CCC(n2c3cnccc3c3cnc(Nc4cc5c(cn4)CCNC5)nc32)CC1
InChIInChI=1S/C24H27N7/c1-15-2-4-18(5-3-15)31-21-14-26-9-7-19(21)20-13-28-24(30-23(20)31)29-22-10-17-11-25-8-6-16(17)12-27-22/h7,9-10,12-15,18,25H,2-6,8,11H2,1H3,(H,27,28,29,30)
InChIKeyPADUNTTWTYUKQZ-UHFFFAOYSA-N
XLogP4.51
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 66549076) is 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC1CCC(n2c3cnccc3c3cnc(Nc4cc5c(cn4)CCNC5)nc32)CC1.
What is the InChIKey of 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 PADUNTTWTYUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-15-2-4-18(5-3-15)31-21-14-26-9-7-19(21)20-13-28-24(30-23(20)31)29-22-10-17-11-25-8-6-16(17)12-27-22/h7,9-10,12-15,18,25H,2-6,8,11H2,1H3,(H,27,28,29,30).
What are the key properties of 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 413.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-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 66549076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).