2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine

C14H15N3O2 — CID 115147885

IUPAC2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O2/c1-9-5-10(15)7-16-14(9)17(2)11-3-4-12-13(6-11)19-8-18-12/h3-7H,8,15H2,1-2H3
InChIKeyJFGSMUUZIVIKKH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.47
Rot. Bonds2

About 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine

2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147885) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147885
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O2/c1-9-5-10(15)7-16-14(9)17(2)11-3-4-12-13(6-11)19-8-18-12/h3-7H,8,15H2,1-2H3
InChIKeyJFGSMUUZIVIKKH-UHFFFAOYSA-N
XLogP2.47
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine (CID 115147885) is 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(N)cnc1N(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is JFGSMUUZIVIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-5-10(15)7-16-14(9)17(2)11-3-4-12-13(6-11)19-8-18-12/h3-7H,8,15H2,1-2H3.
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine?
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 257.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).