5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine

C14H16BrN3 — CID 113423741

IUPAC5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cc(Br)ccc2C)c1
InChIInChI=1S/C14H16BrN3/c1-3-17-12-7-13(9-16-8-12)18-14-6-11(15)5-4-10(14)2/h4-9,17-18H,3H2,1-2H3
InChIKeyKINKPXIBPKXNGA-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.33
Rot. Bonds4

About 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine

5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 113423741) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID113423741
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cc(Br)ccc2C)c1
InChIInChI=1S/C14H16BrN3/c1-3-17-12-7-13(9-16-8-12)18-14-6-11(15)5-4-10(14)2/h4-9,17-18H,3H2,1-2H3
InChIKeyKINKPXIBPKXNGA-UHFFFAOYSA-N
XLogP4.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104534804
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine (CID 113423741) is 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2cc(Br)ccc2C)c1.
What is the InChIKey of 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is KINKPXIBPKXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-17-12-7-13(9-16-8-12)18-14-6-11(15)5-4-10(14)2/h4-9,17-18H,3H2,1-2H3.
What are the key properties of 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 113423741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).