iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate

C24H20FeN8Se2 — CID 139142537

IUPACiron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate
SMILESCc1cccnc1Nc1cccc(-c2cccc(Nc3ncccc3C)n2)n1.N#C[Se-].N#C[Se-].[Fe+2]
InChIInChI=1S/C22H20N6.2CHNSe.Fe/c1-15-7-5-13-23-21(15)27-19-11-3-9-17(25-19)18-10-4-12-20(26-18)28-22-16(2)8-6-14-24-22;2*2-1-3;/h3-14H,1-2H3,(H,23,25,27)(H,24,26,28);2*3H;/q;;;+2/p-2
InChIKeyNILRRCMLBMWZOM-UHFFFAOYSA-L
MW634.25 g/mol
LogP4.31
Rot. Bonds5

About iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate

iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate (PubChem CID 139142537) has the molecular formula C24H20FeN8Se2 and a molecular weight of 634.25 g/mol. Its IUPAC name is iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate.

Molecular Properties

Compound Nameiron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate
PubChem CID139142537
Molecular FormulaC24H20FeN8Se2
Molecular Weight634.25 g/mol
Exact Mass635.95
IUPAC Nameiron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate
SMILESCc1cccnc1Nc1cccc(-c2cccc(Nc3ncccc3C)n2)n1.N#C[Se-].N#C[Se-].[Fe+2]
InChIInChI=1S/C22H20N6.2CHNSe.Fe/c1-15-7-5-13-23-21(15)27-19-11-3-9-17(25-19)18-10-4-12-20(26-18)28-22-16(2)8-6-14-24-22;2*2-1-3;/h3-14H,1-2H3,(H,23,25,27)(H,24,26,28);2*3H;/q;;;+2/p-2
InChIKeyNILRRCMLBMWZOM-UHFFFAOYSA-L
XLogP4.31
TPSA123.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.25
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate with MolForge

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Launch Full Analysis

Related Compounds

Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
Cyclohexyl-{4-[1-(4-methylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 25020308
N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine
CID 25113021
Cyclohexyl-{4-[1-(4-isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899899
Cyclohexyl-{4-[1-((cis-3,5-dimethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899903
Cyclohexyl-{4-[1-(4-cyclopropylmethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46900066
Cyclohexyl-{4-[1-(4-cyclopropylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46900067
N*1*-(3-Pyridin-4-yl[2,6]naphthyridin-1-yl)ethane-1,2-diamine
CID 46901859
1-Piperazin-1-yl-3-pyridin-4-yl[2,6]naphthyridine
CID 46901862
(S)-N*1*-(3-Pyridin-4-yl-[2,6]naphthyridin-1-yl)-propane-1,2-diamine
CID 56643505

Frequently Asked Questions

What is the IUPAC name of iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate?
The IUPAC name of iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate (CID 139142537) is iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate.
What is the SMILES notation for iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate?
The canonical SMILES for iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate is Cc1cccnc1Nc1cccc(-c2cccc(Nc3ncccc3C)n2)n1.N#C[Se-].N#C[Se-].[Fe+2].
What is the InChIKey of iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate?
The InChIKey is NILRRCMLBMWZOM-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H20N6.2CHNSe.Fe/c1-15-7-5-13-23-21(15)27-19-11-3-9-17(25-19)18-10-4-12-20(26-18)28-22-16(2)8-6-14-24-22;2*2-1-3;/h3-14H,1-2H3,(H,23,25,27)(H,24,26,28);2*3H;/q;;;+2/p-2.
What are the key properties of iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate?
iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate has a molecular weight of 634.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);N-(3-methyl-2-pyridinyl)-6-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyridin-2-amine;diselenocyanate is sourced from PubChem (CID 139142537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).