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

C22H16N7NaOS — CID 159738019

IUPACsodium 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
SMILESN#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1NCc1ccc(C2=N[N-]NN2)cc1.[Na+]
InChIInChI=1S/C22H16N7OS.Na/c23-11-18-17(16-7-8-30-13-16)10-19(20-2-1-9-31-20)25-22(18)24-12-14-3-5-15(6-4-14)21-26-28-29-27-21;/h1-10,13,28H,12H2,(H,24,25)(H,26,27);/q-1;+1
InChIKeyGHRMCUZFAWWFLX-UHFFFAOYSA-N
MW449.48 g/mol
LogP1.62
Rot. Bonds6

About 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

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 (PubChem CID 159738019) has the molecular formula C22H16N7NaOS and a molecular weight of 449.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium 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
PubChem CID159738019
Molecular FormulaC22H16N7NaOS
Molecular Weight449.48 g/mol
Exact Mass449.10
IUPAC Namesodium 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
SMILESN#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1NCc1ccc(C2=N[N-]NN2)cc1.[Na+]
InChIInChI=1S/C22H16N7OS.Na/c23-11-18-17(16-7-8-30-13-16)10-19(20-2-1-9-31-20)25-22(18)24-12-14-3-5-15(6-4-14)21-26-28-29-27-21;/h1-10,13,28H,12H2,(H,24,25)(H,26,27);/q-1;+1
InChIKeyGHRMCUZFAWWFLX-UHFFFAOYSA-N
XLogP1.62
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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
(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium
CID 143568688
4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
CID 59143960
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-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine
CID 142987115
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
CID 118719751
methyl 4-[[[3-cyano-4-(furan-3-yl)-6-[(1Z)-1-sulfanylbuta-1,3-dienyl]-2-pyridinyl]amino]methyl]benzoate
CID 143568690
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1NCc1ccc(C2=N[N-]NN2)cc1.[Na+].
What is the InChIKey of 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?
The InChIKey is GHRMCUZFAWWFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N7OS.Na/c23-11-18-17(16-7-8-30-13-16)10-19(20-2-1-9-31-20)25-22(18)24-12-14-3-5-15(6-4-14)21-26-28-29-27-21;/h1-10,13,28H,12H2,(H,24,25)(H,26,27);/q-1;+1.
What are the key properties of 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?
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 has a molecular weight of 449.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159738019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).