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

C29H27N7 — CID 101179084

IUPAC2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine
SMILESc1ccc(CNc2cccc(Nc3cccc(Nc4cccc(NCc5ccccc5)n4)n3)n2)cc1
InChIInChI=1S/C29H27N7/c1-3-10-22(11-4-1)20-30-24-14-7-16-26(32-24)34-28-18-9-19-29(36-28)35-27-17-8-15-25(33-27)31-21-23-12-5-2-6-13-23/h1-19H,20-21H2,(H4,30,31,32,33,34,35,36)
InChIKeyMWHRWMVXVUCXDW-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.58
Rot. Bonds10

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

2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine (PubChem CID 101179084) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine
PubChem CID101179084
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine
SMILESc1ccc(CNc2cccc(Nc3cccc(Nc4cccc(NCc5ccccc5)n4)n3)n2)cc1
InChIInChI=1S/C29H27N7/c1-3-10-22(11-4-1)20-30-24-14-7-16-26(32-24)34-28-18-9-19-29(36-28)35-27-17-8-15-25(33-27)31-21-23-12-5-2-6-13-23/h1-19H,20-21H2,(H4,30,31,32,33,34,35,36)
InChIKeyMWHRWMVXVUCXDW-UHFFFAOYSA-N
XLogP6.58
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

WZ 811
CID 11565518
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
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6,6'-(Pyridine-2,6-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46892824
6-(2-{6-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-2-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892825
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
N-benzyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3233704
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CID 6362174
4-(2-(o-toluidino)pyridin-4-yl)-N-o-tolylpyridin-2-amine
CID 10384284
N-(4-fluorophenyl)-4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-amine
CID 10452031
N-(2-fluorophenyl)-4-(2-(2-fluorophenylamino)pyridin-4-yl)pyridin-2-amine
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2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine (CID 101179084) is 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine is c1ccc(CNc2cccc(Nc3cccc(Nc4cccc(NCc5ccccc5)n4)n3)n2)cc1.
What is the InChIKey of 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine?
The InChIKey is MWHRWMVXVUCXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-3-10-22(11-4-1)20-30-24-14-7-16-26(32-24)34-28-18-9-19-29(36-28)35-27-17-8-15-25(33-27)31-21-23-12-5-2-6-13-23/h1-19H,20-21H2,(H4,30,31,32,33,34,35,36).
What are the key properties of 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine?
2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine has a molecular weight of 473.58 g/mol, XLogP of 6.58, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine is sourced from PubChem (CID 101179084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).