6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine

C17H21N3O — CID 43261678

IUPAC6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine
SMILESCc1cccc(Nc2ccc(N)c(OCC3CC3)n2)c1C
InChIInChI=1S/C17H21N3O/c1-11-4-3-5-15(12(11)2)19-16-9-8-14(18)17(20-16)21-10-13-6-7-13/h3-5,8-9,13H,6-7,10,18H2,1-2H3,(H,19,20)
InChIKeyDWQMIIMEJNXGPJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.81
Rot. Bonds5

About 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine

6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine (PubChem CID 43261678) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine
PubChem CID43261678
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine
SMILESCc1cccc(Nc2ccc(N)c(OCC3CC3)n2)c1C
InChIInChI=1S/C17H21N3O/c1-11-4-3-5-15(12(11)2)19-16-9-8-14(18)17(20-16)21-10-13-6-7-13/h3-5,8-9,13H,6-7,10,18H2,1-2H3,(H,19,20)
InChIKeyDWQMIIMEJNXGPJ-UHFFFAOYSA-N
XLogP3.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine (CID 43261678) is 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine is Cc1cccc(Nc2ccc(N)c(OCC3CC3)n2)c1C.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine?
The InChIKey is DWQMIIMEJNXGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-4-3-5-15(12(11)2)19-16-9-8-14(18)17(20-16)21-10-13-6-7-13/h3-5,8-9,13H,6-7,10,18H2,1-2H3,(H,19,20).
What are the key properties of 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine?
6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).