2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide

C26H19N5S — CID 143568429

IUPAC2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide
SMILES[H]/N=C(\N=N\[H])C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)c1ccccc1
InChIInChI=1S/C26H19N5S/c27-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)30-26(22)32-24(25(28)31-29)20-14-8-3-9-15-20/h1-16,24,28-29H/b28-25-,31-29+
InChIKeyCVMIEDCPNFARBV-QGORGSHDSA-N
MW433.54 g/mol
LogP7.13
Rot. Bonds6

About 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide (PubChem CID 143568429) has the molecular formula C26H19N5S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide
PubChem CID143568429
Molecular FormulaC26H19N5S
Molecular Weight433.54 g/mol
Exact Mass433.14
IUPAC Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide
SMILES[H]/N=C(\N=N\[H])C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)c1ccccc1
InChIInChI=1S/C26H19N5S/c27-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)30-26(22)32-24(25(28)31-29)20-14-8-3-9-15-20/h1-16,24,28-29H/b28-25-,31-29+
InChIKeyCVMIEDCPNFARBV-QGORGSHDSA-N
XLogP7.13
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
CID 143568493
2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270237
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide
CID 23744241
2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
CID 3125938
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037
2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
CID 123877346
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 3104342
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3380391
N-(4-bromophenyl)-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 3123152

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide?
The IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide (CID 143568429) is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide.
What is the SMILES notation for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide?
The canonical SMILES for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide is [H]/N=C(\N=N\[H])C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)c1ccccc1.
What is the InChIKey of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide?
The InChIKey is CVMIEDCPNFARBV-QGORGSHDSA-N. The full InChI is InChI=1S/C26H19N5S/c27-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)30-26(22)32-24(25(28)31-29)20-14-8-3-9-15-20/h1-16,24,28-29H/b28-25-,31-29+.
What are the key properties of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide?
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide has a molecular weight of 433.54 g/mol, XLogP of 7.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-imino-2-phenylethanimidamide is sourced from PubChem (CID 143568429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).