4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol

C19H17N3O2 — CID 135519892

IUPAC4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESOc1ccc(/C(Cc2ccccn2)=N\Nc2ccccc2)c(O)c1
InChIInChI=1S/C19H17N3O2/c23-16-9-10-17(19(24)13-16)18(12-15-8-4-5-11-20-15)22-21-14-6-2-1-3-7-14/h1-11,13,21,23-24H,12H2/b22-18-
InChIKeyZXQYRKFTWABQDF-PYCFMQQDSA-N
MW319.36 g/mol
LogP3.55
Rot. Bonds5

About 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol

4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol (PubChem CID 135519892) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
PubChem CID135519892
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESOc1ccc(/C(Cc2ccccn2)=N\Nc2ccccc2)c(O)c1
InChIInChI=1S/C19H17N3O2/c23-16-9-10-17(19(24)13-16)18(12-15-8-4-5-11-20-15)22-21-14-6-2-1-3-7-14/h1-11,13,21,23-24H,12H2/b22-18-
InChIKeyZXQYRKFTWABQDF-PYCFMQQDSA-N
XLogP3.55
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
CID 59152424
4-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135468585
4-[(E)-(Quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135446612
4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
CID 155528448
2-[[(1-Benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]-6-ethylbenzene-1,3-diol
CID 135519929
4-[(E)-2-(4-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
CID 155541996
4-(1-(Pyridin-3-yl)ethyl)benzene-1,3-diol
CID 68281549
4-(1-Pyridin-2-ylethyl)benzene-1,3-diol
CID 68281600
Phloretin isonicotinyl hydrazone
CID 137250088

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol (CID 135519892) is 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol is Oc1ccc(/C(Cc2ccccn2)=N\Nc2ccccc2)c(O)c1.
What is the InChIKey of 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The InChIKey is ZXQYRKFTWABQDF-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-16-9-10-17(19(24)13-16)18(12-15-8-4-5-11-20-15)22-21-14-6-2-1-3-7-14/h1-11,13,21,23-24H,12H2/b22-18-.
What are the key properties of 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol?
4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol has a molecular weight of 319.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135519892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).