4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine

C24H28BrN5 — CID 123411465

IUPAC4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C24H28BrN5/c1-16-14-27-24(29-20-10-8-19(26)9-11-20)13-21(16)22-6-3-7-23(30-22)28-15-17-4-2-5-18(25)12-17/h2-7,12-14,19-20H,8-11,15,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyVKCZTLSJMSRUNX-UHFFFAOYSA-N
MW466.43 g/mol
LogP5.51
Rot. Bonds6

About 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 123411465) has the molecular formula C24H28BrN5 and a molecular weight of 466.43 g/mol. Its IUPAC name is 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID123411465
Molecular FormulaC24H28BrN5
Molecular Weight466.43 g/mol
Exact Mass465.15
IUPAC Name4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(Br)c2)n1
InChIInChI=1S/C24H28BrN5/c1-16-14-27-24(29-20-10-8-19(26)9-11-20)13-21(16)22-6-3-7-23(30-22)28-15-17-4-2-5-18(25)12-17/h2-7,12-14,19-20H,8-11,15,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyVKCZTLSJMSRUNX-UHFFFAOYSA-N
XLogP5.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.43
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

PETT deriv. 6
CID 492697
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AS1535907
CID 10200069
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4-Methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
CID 134686796
4-Methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
CID 134686797
N-(3-bromophenyl)isoquinolin-1-amine
CID 4321095
1-(5-bromo-2-pyridyl)-3-[(1R)-1-phenylethyl]thiourea
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CID 10193693
4-(2-(o-toluidino)pyridin-4-yl)-N-o-tolylpyridin-2-amine
CID 10384284

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine (CID 123411465) is 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine is Cc1cnc(NC2CCC(N)CC2)cc1-c1cccc(NCc2cccc(Br)c2)n1.
What is the InChIKey of 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is VKCZTLSJMSRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN5/c1-16-14-27-24(29-20-10-8-19(26)9-11-20)13-21(16)22-6-3-7-23(30-22)28-15-17-4-2-5-18(25)12-17/h2-7,12-14,19-20H,8-11,15,26H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 466.43 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[6-[(3-bromophenyl)methylamino]-2-pyridinyl]-5-methyl-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 123411465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).