5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine

C15H18BrN3 — CID 104532080

IUPAC5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H18BrN3/c1-2-7-18-14-8-15(11-17-10-14)19-9-12-3-5-13(16)6-4-12/h3-6,8,10-11,18-19H,2,7,9H2,1H3
InChIKeyXCZWJNBOFMGWHS-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.28
Rot. Bonds6

About 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine

5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104532080) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104532080
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H18BrN3/c1-2-7-18-14-8-15(11-17-10-14)19-9-12-3-5-13(16)6-4-12/h3-6,8,10-11,18-19H,2,7,9H2,1H3
InChIKeyXCZWJNBOFMGWHS-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
4-[[[5-(propylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 104534184
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532755
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine (CID 104532080) is 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NCc2ccc(Br)cc2)c1.
What is the InChIKey of 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is XCZWJNBOFMGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-7-18-14-8-15(11-17-10-14)19-9-12-3-5-13(16)6-4-12/h3-6,8,10-11,18-19H,2,7,9H2,1H3.
What are the key properties of 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine?
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).