6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine

C19H18N4 — CID 10380195

IUPAC6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine
SMILESCc1ccc2c3c(ccc(N(C)Cc4ccncc4)c13)N=C2N
InChIInChI=1S/C19H18N4/c1-12-3-4-14-18-15(22-19(14)20)5-6-16(17(12)18)23(2)11-13-7-9-21-10-8-13/h3-10H,11H2,1-2H3,(H2,20,22)
InChIKeyGLAAJJXPUUQAKL-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.53
Rot. Bonds3

About 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine

6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine (PubChem CID 10380195) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine
PubChem CID10380195
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine
SMILESCc1ccc2c3c(ccc(N(C)Cc4ccncc4)c13)N=C2N
InChIInChI=1S/C19H18N4/c1-12-3-4-14-18-15(22-19(14)20)5-6-16(17(12)18)23(2)11-13-7-9-21-10-8-13/h3-10H,11H2,1-2H3,(H2,20,22)
InChIKeyGLAAJJXPUUQAKL-UHFFFAOYSA-N
XLogP3.53
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine?
The IUPAC name of 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine (CID 10380195) is 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine is Cc1ccc2c3c(ccc(N(C)Cc4ccncc4)c13)N=C2N.
What is the InChIKey of 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine?
The InChIKey is GLAAJJXPUUQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-12-3-4-14-18-15(22-19(14)20)5-6-16(17(12)18)23(2)11-13-7-9-21-10-8-13/h3-10H,11H2,1-2H3,(H2,20,22).
What are the key properties of 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine?
6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-6-N-(pyridin-4-ylmethyl)benzo[cd]indole-2,6-diamine is sourced from PubChem (CID 10380195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).