N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine

C26H26N6 — CID 58354621

IUPACN,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine
SMILESCCc1cc(N(CC)CC)ncc1-c1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1
InChIInChI=1S/C26H26N6/c1-4-17-11-25(32(5-2)6-3)29-15-22(17)19-10-21-20-12-23(18-8-7-9-27-13-18)28-16-24(20)31-26(21)30-14-19/h7-16H,4-6H2,1-3H3,(H,30,31)
InChIKeyDECSSMAILVXURC-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.64
Rot. Bonds6

About N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine

N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine (PubChem CID 58354621) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine
PubChem CID58354621
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC NameN,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine
SMILESCCc1cc(N(CC)CC)ncc1-c1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1
InChIInChI=1S/C26H26N6/c1-4-17-11-25(32(5-2)6-3)29-15-22(17)19-10-21-20-12-23(18-8-7-9-27-13-18)28-16-24(20)31-26(21)30-14-19/h7-16H,4-6H2,1-3H3,(H,30,31)
InChIKeyDECSSMAILVXURC-UHFFFAOYSA-N
XLogP5.64
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine?
The IUPAC name of N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine (CID 58354621) is N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine.
What is the SMILES notation for N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine?
The canonical SMILES for N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine is CCc1cc(N(CC)CC)ncc1-c1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1.
What is the InChIKey of N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine?
The InChIKey is DECSSMAILVXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-4-17-11-25(32(5-2)6-3)29-15-22(17)19-10-21-20-12-23(18-8-7-9-27-13-18)28-16-24(20)31-26(21)30-14-19/h7-16H,4-6H2,1-3H3,(H,30,31).
What are the key properties of N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine?
N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine has a molecular weight of 422.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-triethyl-5-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)pyridin-2-amine is sourced from PubChem (CID 58354621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).