N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine

C20H15N5 — CID 170651501

IUPACN-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine
SMILESCc1cc(Nc2nc3cc4ccccc4n3c3cnccc23)ccn1
InChIInChI=1S/C20H15N5/c1-13-10-15(6-9-22-13)23-20-16-7-8-21-12-18(16)25-17-5-3-2-4-14(17)11-19(25)24-20/h2-12H,1H3,(H,22,23,24)
InChIKeyHNTYJHNBJATWRR-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.48
Rot. Bonds2

About N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine

N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine (PubChem CID 170651501) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine
PubChem CID170651501
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC NameN-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine
SMILESCc1cc(Nc2nc3cc4ccccc4n3c3cnccc23)ccn1
InChIInChI=1S/C20H15N5/c1-13-10-15(6-9-22-13)23-20-16-7-8-21-12-18(16)25-17-5-3-2-4-14(17)11-19(25)24-20/h2-12H,1H3,(H,22,23,24)
InChIKeyHNTYJHNBJATWRR-UHFFFAOYSA-N
XLogP4.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine?
The IUPAC name of N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine (CID 170651501) is N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine is Cc1cc(Nc2nc3cc4ccccc4n3c3cnccc23)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine?
The InChIKey is HNTYJHNBJATWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-13-10-15(6-9-22-13)23-20-16-7-8-21-12-18(16)25-17-5-3-2-4-14(17)11-19(25)24-20/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine?
N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine has a molecular weight of 325.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine is sourced from PubChem (CID 170651501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).