4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine

C56H64N8 — CID 158674297

IUPAC4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine
SMILESCc1cc(CCc2cccc(CCc3cc(C)nc(-n4c(C)ccc4C)c3)c2)cc(-n2c(C)ccc2C)n1.Cc1cc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)cc(N)n1
InChIInChI=1S/C34H38N4.C22H26N4/c1-23-18-31(21-33(35-23)37-25(3)10-11-26(37)4)16-14-29-8-7-9-30(20-29)15-17-32-19-24(2)36-34(22-32)38-27(5)12-13-28(38)6;1-15-10-19(13-21(23)25-15)8-6-17-4-3-5-18(12-17)7-9-20-11-16(2)26-22(24)14-20/h7-13,18-22H,14-17H2,1-6H3;3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyIEIBUFGWLSHTQQ-UHFFFAOYSA-N
MW849.18 g/mol
LogP11.31
Rot. Bonds14

About 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine

4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine (PubChem CID 158674297) has the molecular formula C56H64N8 and a molecular weight of 849.18 g/mol. Its IUPAC name is 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine.

Molecular Properties

Compound Name4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine
PubChem CID158674297
Molecular FormulaC56H64N8
Molecular Weight849.18 g/mol
Exact Mass848.53
IUPAC Name4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine
SMILESCc1cc(CCc2cccc(CCc3cc(C)nc(-n4c(C)ccc4C)c3)c2)cc(-n2c(C)ccc2C)n1.Cc1cc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)cc(N)n1
InChIInChI=1S/C34H38N4.C22H26N4/c1-23-18-31(21-33(35-23)37-25(3)10-11-26(37)4)16-14-29-8-7-9-30(20-29)15-17-32-19-24(2)36-34(22-32)38-27(5)12-13-28(38)6;1-15-10-19(13-21(23)25-15)8-6-17-4-3-5-18(12-17)7-9-20-11-16(2)26-22(24)14-20/h7-13,18-22H,14-17H2,1-6H3;3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26)
InChIKeyIEIBUFGWLSHTQQ-UHFFFAOYSA-N
XLogP11.31
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.18
LogP ≤ 511.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine with MolForge

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Related Compounds

10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride
CID 387546
Benzo[b][1, 10,10'-hexamethylene-bis[2,4-dimethyl-, dihydrochloride
CID 387544
10-[6-(5-Imino-2,4-dimethyl-benzo[b][1,8]naphthyridin-10-yl)hexyl]-2,4-dimethyl-benzo[b][1,8]naphthyridin-5-imine
CID 387545
10-[8-(5-Imino-2,4-dimethyl-benzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethyl-benzo[b][1,8]naphthyridin-5-imine
CID 387547
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-amine;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
CID 158702986
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-amine;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;methane
CID 159786209
1,3-Bis(6-methyl-2-pyridylimino)-2,3-dihydro-1H-isoindoline
CID 139071661
(4,6-Dimethyl-pyridin-2-yl)-(6-(2,4,6-triisopropyl-phenyl)-pyridin-2-yl)-amine
CID 139207006
4-N-[6-[[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2-pyridinyl]-6-(4-methylphenyl)pyrimidine-2,4-diamine
CID 139220873
1-[[4-[4-[6-(2,5-Dimethylpyrrol-1-yl)-2-pyridinyl]phenyl]phenyl]methyl]-4-(2-phenylethyl)piperazine
CID 12082723
2-(2,5-Dimethylpyrrol-1-yl)-6-[4-(6-phenylhexyl)phenyl]pyridine
CID 21995382
2-(2,5-Dimethylpyrrol-1-yl)-4-methyl-6-(4-(2-(phenethylpiperazin-4-yl)ethyl)phenyl)-pyridine
CID 21995390

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine?
The IUPAC name of 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine (CID 158674297) is 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine.
What is the SMILES notation for 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine?
The canonical SMILES for 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine is Cc1cc(CCc2cccc(CCc3cc(C)nc(-n4c(C)ccc4C)c3)c2)cc(-n2c(C)ccc2C)n1.Cc1cc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)cc(N)n1.
What is the InChIKey of 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine?
The InChIKey is IEIBUFGWLSHTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4.C22H26N4/c1-23-18-31(21-33(35-23)37-25(3)10-11-26(37)4)16-14-29-8-7-9-30(20-29)15-17-32-19-24(2)36-34(22-32)38-27(5)12-13-28(38)6;1-15-10-19(13-21(23)25-15)8-6-17-4-3-5-18(12-17)7-9-20-11-16(2)26-22(24)14-20/h7-13,18-22H,14-17H2,1-6H3;3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26).
What are the key properties of 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine?
4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine has a molecular weight of 849.18 g/mol, XLogP of 11.31, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(2-amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine is sourced from PubChem (CID 158674297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).