6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine

C19H15F3N4 — CID 10450905

IUPAC6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine
SMILESCN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc13)C(N)=N2
InChIInChI=1S/C19H15F3N4/c1-26(10-11-7-8-24-16(9-11)19(20,21)22)15-6-5-14-17-12(15)3-2-4-13(17)18(23)25-14/h2-9H,10H2,1H3,(H2,23,25)
InChIKeyJUPIKZCYHKMLSJ-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.24
Rot. Bonds3

About 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine

6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine (PubChem CID 10450905) has the molecular formula C19H15F3N4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine
PubChem CID10450905
Molecular FormulaC19H15F3N4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine
SMILESCN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc13)C(N)=N2
InChIInChI=1S/C19H15F3N4/c1-26(10-11-7-8-24-16(9-11)19(20,21)22)15-6-5-14-17-12(15)3-2-4-13(17)18(23)25-14/h2-9H,10H2,1H3,(H2,23,25)
InChIKeyJUPIKZCYHKMLSJ-UHFFFAOYSA-N
XLogP4.24
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine (CID 10450905) is 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine is CN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc13)C(N)=N2.
What is the InChIKey of 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine?
The InChIKey is JUPIKZCYHKMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4/c1-26(10-11-7-8-24-16(9-11)19(20,21)22)15-6-5-14-17-12(15)3-2-4-13(17)18(23)25-14/h2-9H,10H2,1H3,(H2,23,25).
What are the key properties of 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine?
6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine has a molecular weight of 356.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]benzo[cd]indole-2,6-diamine is sourced from PubChem (CID 10450905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).