6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine

C15H17Cl2N3 — CID 102755576

IUPAC6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-2-8-18-14-12(16)9-13(17)15(20-14)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,18,19,20)
InChIKeyOZBUUSRNASVYQL-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.82
Rot. Bonds6

About 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine

6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine (PubChem CID 102755576) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
PubChem CID102755576
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-2-8-18-14-12(16)9-13(17)15(20-14)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,18,19,20)
InChIKeyOZBUUSRNASVYQL-UHFFFAOYSA-N
XLogP4.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
CID 106901036
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102758253
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906
6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid
CID 130565238

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine (CID 102755576) is 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The InChIKey is OZBUUSRNASVYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-2-8-18-14-12(16)9-13(17)15(20-14)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine has a molecular weight of 310.23 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).