2-N,6-N-dibenzylpyridine-2,6-diamine

C57H57N9 — CID 139119937

IUPAC2-N,6-N-dibenzylpyridine-2,6-diamine
SMILESc1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1
InChIInChI=1S/3C19H19N3/c3*1-3-8-16(9-4-1)14-20-18-12-7-13-19(22-18)21-15-17-10-5-2-6-11-17/h3*1-13H,14-15H2,(H2,20,21,22)
InChIKeyUZRCSRLDIDGFJD-UHFFFAOYSA-N
MW868.15 g/mol
LogP12.92
Rot. Bonds18

About 2-N,6-N-dibenzylpyridine-2,6-diamine

2-N,6-N-dibenzylpyridine-2,6-diamine (PubChem CID 139119937) has the molecular formula C57H57N9 and a molecular weight of 868.15 g/mol. Its IUPAC name is 2-N,6-N-dibenzylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dibenzylpyridine-2,6-diamine
PubChem CID139119937
Molecular FormulaC57H57N9
Molecular Weight868.15 g/mol
Exact Mass867.47
IUPAC Name2-N,6-N-dibenzylpyridine-2,6-diamine
SMILESc1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1
InChIInChI=1S/3C19H19N3/c3*1-3-8-16(9-4-1)14-20-18-12-7-13-19(22-18)21-15-17-10-5-2-6-11-17/h3*1-13H,14-15H2,(H2,20,21,22)
InChIKeyUZRCSRLDIDGFJD-UHFFFAOYSA-N
XLogP12.92
TPSA110.85 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.15
LogP ≤ 512.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

WZ 811
CID 11565518
6-N-benzyl-4-N-[6-(benzylamino)-2-methylpyrimidin-4-yl]-2-methylpyrimidine-4,6-diamine
CID 44531129
6-fluoro-N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine
CID 49857284
N-Phenethyl-N''''-((S)-1-phenyl-ethyl)-pyridine-2,6-diamine
CID 44393056
2,6-Bis[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile
CID 72374597
2,6-Bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile
CID 73352249
5,6-bis[4-(aminomethyl)phenyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 164620536
N-benzyl-6-piperazin-1-ylpyridin-2-amine
CID 139670736
5-Phenyl-7-piperazin-1-yl-1,8-naphthyridin-2-amine
CID 463951
2,6-Dibenzylaminopyridine
CID 12438876
2,8,14-Tris(4-methylphenyl)-2,8,14,19,20,21-hexazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene
CID 16080115
2-N-[6-[bis[6-(2-anilinoanilino)-2-pyridinyl]-fluoromethyl]-2-pyridinyl]-1-N-phenylbenzene-1,2-diamine
CID 58036382

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dibenzylpyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-dibenzylpyridine-2,6-diamine (CID 139119937) is 2-N,6-N-dibenzylpyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dibenzylpyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dibenzylpyridine-2,6-diamine is c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.c1ccc(CNc2cccc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,6-N-dibenzylpyridine-2,6-diamine?
The InChIKey is UZRCSRLDIDGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H19N3/c3*1-3-8-16(9-4-1)14-20-18-12-7-13-19(22-18)21-15-17-10-5-2-6-11-17/h3*1-13H,14-15H2,(H2,20,21,22).
What are the key properties of 2-N,6-N-dibenzylpyridine-2,6-diamine?
2-N,6-N-dibenzylpyridine-2,6-diamine has a molecular weight of 868.15 g/mol, XLogP of 12.92, 18 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dibenzylpyridine-2,6-diamine is sourced from PubChem (CID 139119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).