5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C17H20ClN3 — CID 43690636

IUPAC5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NC2CC(c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C17H20ClN3/c1-21(2)17-8-7-15(11-19-17)20-16-9-13(10-16)12-3-5-14(18)6-4-12/h3-8,11,13,16,20H,9-10H2,1-2H3
InChIKeyZABFLKIFZYZVBK-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.16
Rot. Bonds4

About 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43690636) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43690636
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NC2CC(c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C17H20ClN3/c1-21(2)17-8-7-15(11-19-17)20-16-9-13(10-16)12-3-5-14(18)6-4-12/h3-8,11,13,16,20H,9-10H2,1-2H3
InChIKeyZABFLKIFZYZVBK-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43690636) is 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(NC2CC(c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is ZABFLKIFZYZVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-21(2)17-8-7-15(11-19-17)20-16-9-13(10-16)12-3-5-14(18)6-4-12/h3-8,11,13,16,20H,9-10H2,1-2H3.
What are the key properties of 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 301.82 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43690636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).