2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine

C48H46N10 — CID 139119939

IUPAC2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine
SMILESc1ccc(CNc2cccc(Nc3cccc(NCc4ccccc4)n3)n2)cc1.c1ccc(CNc2cccc(Nc3cccc(NCc4ccccc4)n3)n2)cc1
InChIInChI=1S/2C24H23N5/c2*1-3-9-19(10-4-1)17-25-21-13-7-15-23(27-21)29-24-16-8-14-22(28-24)26-18-20-11-5-2-6-12-20/h2*1-16H,17-18H2,(H3,25,26,27,28,29)
InChIKeyCZHJHKYKCMIRGX-UHFFFAOYSA-N
MW762.97 g/mol
LogP10.89
Rot. Bonds16

About 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine

2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine (PubChem CID 139119939) has the molecular formula C48H46N10 and a molecular weight of 762.97 g/mol. Its IUPAC name is 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine
PubChem CID139119939
Molecular FormulaC48H46N10
Molecular Weight762.97 g/mol
Exact Mass762.39
IUPAC Name2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine
SMILESc1ccc(CNc2cccc(Nc3cccc(NCc4ccccc4)n3)n2)cc1.c1ccc(CNc2cccc(Nc3cccc(NCc4ccccc4)n3)n2)cc1
InChIInChI=1S/2C24H23N5/c2*1-3-9-19(10-4-1)17-25-21-13-7-15-23(27-21)29-24-16-8-14-22(28-24)26-18-20-11-5-2-6-12-20/h2*1-16H,17-18H2,(H3,25,26,27,28,29)
InChIKeyCZHJHKYKCMIRGX-UHFFFAOYSA-N
XLogP10.89
TPSA123.74 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.97
LogP ≤ 510.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

6-fluoro-N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine
CID 49857284
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
N-benzyl-6-piperazin-1-ylpyridin-2-amine
CID 139670736
4-Phenyl-2,7-di(piperazin-1-yl)-1,8-naphthyridine
CID 463969
3-Phenyl-2,7-di(piperazin-1-yl)-1,8-naphthyridine
CID 491902
3-Phenyl-7-piperazin-1-yl-2-(1-piperidyl)-1,8-naphthyridine
CID 491903
3-Phenyl-2-piperazin-1-yl-7-(1-piperidyl)-1,8-naphthyridine
CID 491904
1,3,5-Tris(di-2-pyridylaminomethyl)benzene
CID 5242730
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
N-[[3-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 53749554

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine (CID 139119939) is 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine is c1ccc(CNc2cccc(Nc3cccc(NCc4ccccc4)n3)n2)cc1.c1ccc(CNc2cccc(Nc3cccc(NCc4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine?
The InChIKey is CZHJHKYKCMIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N5/c2*1-3-9-19(10-4-1)17-25-21-13-7-15-23(27-21)29-24-16-8-14-22(28-24)26-18-20-11-5-2-6-12-20/h2*1-16H,17-18H2,(H3,25,26,27,28,29).
What are the key properties of 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine?
2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine has a molecular weight of 762.97 g/mol, XLogP of 10.89, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine is sourced from PubChem (CID 139119939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).