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

C20H20N4 — CID 11723304

IUPAC6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine
SMILESCc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(N)=N3)ccn1
InChIInChI=1S/C20H20N4/c1-12-4-5-15-19-16(23-20(15)21)6-7-17(18(12)19)24(3)11-14-8-9-22-13(2)10-14/h4-10H,11H2,1-3H3,(H2,21,23)
InChIKeyCQYKHBZGISRXRV-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.84
Rot. Bonds3

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

6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine (PubChem CID 11723304) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine
PubChem CID11723304
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine
SMILESCc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(N)=N3)ccn1
InChIInChI=1S/C20H20N4/c1-12-4-5-15-19-16(23-20(15)21)6-7-17(18(12)19)24(3)11-14-8-9-22-13(2)10-14/h4-10H,11H2,1-3H3,(H2,21,23)
InChIKeyCQYKHBZGISRXRV-UHFFFAOYSA-N
XLogP3.84
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.84
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-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine?
The IUPAC name of 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine (CID 11723304) is 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine is Cc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(N)=N3)ccn1.
What is the InChIKey of 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine?
The InChIKey is CQYKHBZGISRXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-12-4-5-15-19-16(23-20(15)21)6-7-17(18(12)19)24(3)11-14-8-9-22-13(2)10-14/h4-10H,11H2,1-3H3,(H2,21,23).
What are the key properties of 6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine?
6-N,5-dimethyl-6-N-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.84, 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-[(2-methyl-4-pyridinyl)methyl]benzo[cd]indole-2,6-diamine is sourced from PubChem (CID 11723304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).