6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide

C43H39N23 — CID 139045239

IUPAC6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
SMILESN/C(=N\N=C(/N)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(-c4ccccn4)n3)n2)n1
InChIInChI=1S/C43H39N23/c44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25/h1-23H,(H2,44,59)(H2,45,60)(H2,46,61)(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H2,51,66)
InChIKeyMVGGRPHKTHGKIL-UHFFFAOYSA-N
MW877.95 g/mol
LogP0.89
Rot. Bonds14

About 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide

6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide (PubChem CID 139045239) has the molecular formula C43H39N23 and a molecular weight of 877.95 g/mol. Its IUPAC name is 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide.

Molecular Properties

Compound Name6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
PubChem CID139045239
Molecular FormulaC43H39N23
Molecular Weight877.95 g/mol
Exact Mass877.38
IUPAC Name6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
SMILESN/C(=N\N=C(/N)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(-c4ccccn4)n3)n2)n1
InChIInChI=1S/C43H39N23/c44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25/h1-23H,(H2,44,59)(H2,45,60)(H2,46,61)(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H2,51,66)
InChIKeyMVGGRPHKTHGKIL-UHFFFAOYSA-N
XLogP0.89
TPSA397.27 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.95
LogP ≤ 50.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide with MolForge

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Related Compounds

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2-pyridin-2-ylpyridine;rhenium;tetrachloride
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1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
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N'-[(3-pyridin-2-ylphenyl)diazenyl]pyridine-2-carboximidamide
CID 154044085
(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
6-(6-pyridin-2-ylpyridazin-3-yl)pyridin-2-amine
CID 143616941
N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene
CID 143633863
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
N'-aminopyridine-2-carboximidamide
CID 5464234

Frequently Asked Questions

What is the IUPAC name of 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide?
The IUPAC name of 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide (CID 139045239) is 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide.
What is the SMILES notation for 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide?
The canonical SMILES for 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide is N/C(=N\N=C(/N)c1cccc(/C(N)=N/N=C(\N)c2cccc(-c3ccccn3)n2)n1)c1cccc(/C(N)=N/N=C(\N)c2cccc(/C(N)=N/N=C(\N)c3cccc(-c4ccccn4)n3)n2)n1.
What is the InChIKey of 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide?
The InChIKey is MVGGRPHKTHGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N23/c44-36(28-14-5-12-26(54-28)24-10-1-3-22-52-24)59-61-38(46)30-16-7-18-32(56-30)40(48)63-65-42(50)34-20-9-21-35(58-34)43(51)66-64-41(49)33-19-8-17-31(57-33)39(47)62-60-37(45)29-15-6-13-27(55-29)25-11-2-4-23-53-25/h1-23H,(H2,44,59)(H2,45,60)(H2,46,61)(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H2,51,66).
What are the key properties of 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide?
6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide has a molecular weight of 877.95 g/mol, XLogP of 0.89, 14 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide is sourced from PubChem (CID 139045239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).