(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium

C22H20N7OS+ — CID 143568688

IUPAC(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium
SMILESN#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1NCc1ccc(/C(N)=[NH+]/NN)cc1
InChIInChI=1S/C22H19N7OS/c23-11-18-17(16-7-8-30-13-16)10-19(20-2-1-9-31-20)27-22(18)26-12-14-3-5-15(6-4-14)21(24)28-29-25/h1-10,13,29H,12,25H2,(H2,24,28)(H,26,27)/p+1
InChIKeyFKBAADIBEDTYEQ-UHFFFAOYSA-O
MW430.52 g/mol
LogP1.72
Rot. Bonds7

About (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium

(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium (PubChem CID 143568688) has the molecular formula C22H20N7OS+ and a molecular weight of 430.52 g/mol. Its IUPAC name is (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium.

Molecular Properties

Compound Name(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium
PubChem CID143568688
Molecular FormulaC22H20N7OS+
Molecular Weight430.52 g/mol
Exact Mass430.14
IUPAC Name(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium
SMILESN#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1NCc1ccc(/C(N)=[NH+]/NN)cc1
InChIInChI=1S/C22H19N7OS/c23-11-18-17(16-7-8-30-13-16)10-19(20-2-1-9-31-20)27-22(18)26-12-14-3-5-15(6-4-14)21(24)28-29-25/h1-10,13,29H,12,25H2,(H2,24,28)(H,26,27)/p+1
InChIKeyFKBAADIBEDTYEQ-UHFFFAOYSA-O
XLogP1.72
TPSA139.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]benzoate
CID 169428089
sodium 4-(furan-3-yl)-6-thiophen-2-yl-2-[[4-(1,2,4-triaza-3-azanidacyclopent-4-en-5-yl)phenyl]methylamino]pyridine-3-carbonitrile
CID 159738019
disodium;4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoate;4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzenecarboximidate
CID 158215459
4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
CID 59143960
methyl 4-[[[3-cyano-4-(furan-3-yl)-6-[(1Z)-1-sulfanylbuta-1,3-dienyl]-2-pyridinyl]amino]methyl]benzoate
CID 143568690
4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
CID 118719751
4-[[4-(furan-3-yl)-3-[(methylideneamino)methyl]-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 143568629
methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
CID 71159216
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739

Frequently Asked Questions

What is the IUPAC name of (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium?
The IUPAC name of (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium (CID 143568688) is (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium.
What is the SMILES notation for (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium?
The canonical SMILES for (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium is N#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1NCc1ccc(/C(N)=[NH+]/NN)cc1.
What is the InChIKey of (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium?
The InChIKey is FKBAADIBEDTYEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19N7OS/c23-11-18-17(16-7-8-30-13-16)10-19(20-2-1-9-31-20)27-22(18)26-12-14-3-5-15(6-4-14)21(24)28-29-25/h1-10,13,29H,12,25H2,(H2,24,28)(H,26,27)/p+1.
What are the key properties of (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium?
(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium has a molecular weight of 430.52 g/mol, XLogP of 1.72, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium is sourced from PubChem (CID 143568688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).