5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine

C16H20N4 — CID 80648539

IUPAC5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2cccc3c2NCC3)cn1
InChIInChI=1S/C16H20N4/c1-20(2)15-7-6-14(11-19-15)18-10-13-5-3-4-12-8-9-17-16(12)13/h3-7,11,17-18H,8-10H2,1-2H3
InChIKeyYQAZMBAASFESID-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.73
Rot. Bonds4

About 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 80648539) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID80648539
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2cccc3c2NCC3)cn1
InChIInChI=1S/C16H20N4/c1-20(2)15-7-6-14(11-19-15)18-10-13-5-3-4-12-8-9-17-16(12)13/h3-7,11,17-18H,8-10H2,1-2H3
InChIKeyYQAZMBAASFESID-UHFFFAOYSA-N
XLogP2.73
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 80648539) is 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(NCc2cccc3c2NCC3)cn1.
What is the InChIKey of 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is YQAZMBAASFESID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(2)15-7-6-14(11-19-15)18-10-13-5-3-4-12-8-9-17-16(12)13/h3-7,11,17-18H,8-10H2,1-2H3.
What are the key properties of 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 80648539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).