N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide

C31H27N7 — CID 134939146

IUPACN-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide
SMILESc1ccc(NN/C(=N\c2cccc(/N=C(\NNc3ccccc3)c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C31H27N7/c1-5-14-24(15-6-1)30(37-35-26-18-9-3-10-19-26)33-28-22-13-23-29(32-28)34-31(25-16-7-2-8-17-25)38-36-27-20-11-4-12-21-27/h1-23,35-36H,(H2,32,33,34,37,38)
InChIKeyYFWZEFDXLPCUPC-UHFFFAOYSA-N
MW497.61 g/mol
LogP6.47
Rot. Bonds8

About N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide

N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide (PubChem CID 134939146) has the molecular formula C31H27N7 and a molecular weight of 497.61 g/mol. Its IUPAC name is N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide
PubChem CID134939146
Molecular FormulaC31H27N7
Molecular Weight497.61 g/mol
Exact Mass497.23
IUPAC NameN-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide
SMILESc1ccc(NN/C(=N\c2cccc(/N=C(\NNc3ccccc3)c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C31H27N7/c1-5-14-24(15-6-1)30(37-35-26-18-9-3-10-19-26)33-28-22-13-23-29(32-28)34-31(25-16-7-2-8-17-25)38-36-27-20-11-4-12-21-27/h1-23,35-36H,(H2,32,33,34,37,38)
InChIKeyYFWZEFDXLPCUPC-UHFFFAOYSA-N
XLogP6.47
TPSA85.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.61
LogP ≤ 56.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

Quinoline, 2-(2-phenylhydrazino)-
CID 94764
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
(3-Phenethylquinoxalin-2-yl)hydrazine
CID 488816
4,6-Diphenylpyridin-2-amine
CID 15606316
2-{(E)-[Phenyl(2-phenylhydrazinylidene)methyl]diazenyl}quinoline
CID 70565363
3-methyl-N,4,6-triphenylpyridin-2-amine
CID 141510651
[6-[(4-Fluorophenyl)methyl]-2-pyridinyl]hydrazine
CID 53917375
N-(benzhydrylideneamino)-6-fluoropyridin-2-amine
CID 126742248
4-[2-(2-Fluorophenyl)-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450742
4-[(3-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115

Frequently Asked Questions

What is the IUPAC name of N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide?
The IUPAC name of N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide (CID 134939146) is N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide?
The canonical SMILES for N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide is c1ccc(NN/C(=N\c2cccc(/N=C(\NNc3ccccc3)c3ccccc3)n2)c2ccccc2)cc1.
What is the InChIKey of N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide?
The InChIKey is YFWZEFDXLPCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7/c1-5-14-24(15-6-1)30(37-35-26-18-9-3-10-19-26)33-28-22-13-23-29(32-28)34-31(25-16-7-2-8-17-25)38-36-27-20-11-4-12-21-27/h1-23,35-36H,(H2,32,33,34,37,38).
What are the key properties of N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide?
N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide has a molecular weight of 497.61 g/mol, XLogP of 6.47, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 134939146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).