6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine

C20H20N4 — CID 10358404

IUPAC6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine
SMILESCCc1cc(CN(C)c2ccc3c4c(cccc24)C(N)=N3)ccn1
InChIInChI=1S/C20H20N4/c1-3-14-11-13(9-10-22-14)12-24(2)18-8-7-17-19-15(18)5-4-6-16(19)20(21)23-17/h4-11H,3,12H2,1-2H3,(H2,21,23)
InChIKeyXVHWBCAOBMPKIN-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.78
Rot. Bonds4

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

6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine (PubChem CID 10358404) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine
PubChem CID10358404
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine
SMILESCCc1cc(CN(C)c2ccc3c4c(cccc24)C(N)=N3)ccn1
InChIInChI=1S/C20H20N4/c1-3-14-11-13(9-10-22-14)12-24(2)18-8-7-17-19-15(18)5-4-6-16(19)20(21)23-17/h4-11H,3,12H2,1-2H3,(H2,21,23)
InChIKeyXVHWBCAOBMPKIN-UHFFFAOYSA-N
XLogP3.78
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine?
The IUPAC name of 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine (CID 10358404) is 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine.
What is the SMILES notation for 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine?
The canonical SMILES for 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine is CCc1cc(CN(C)c2ccc3c4c(cccc24)C(N)=N3)ccn1.
What is the InChIKey of 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine?
The InChIKey is XVHWBCAOBMPKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-3-14-11-13(9-10-22-14)12-24(2)18-8-7-17-19-15(18)5-4-6-16(19)20(21)23-17/h4-11H,3,12H2,1-2H3,(H2,21,23).
What are the key properties of 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine?
6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-ethyl-4-pyridinyl)methyl]-6-N-methylbenzo[cd]indole-2,6-diamine is sourced from PubChem (CID 10358404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).