N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

C16H16N4O4 — CID 135549590

IUPACN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)c2cccnc2)c1O
InChIInChI=1S/C16H16N4O4/c1-24-13-6-2-4-11(15(13)22)9-19-20-14(21)10-18-16(23)12-5-3-7-17-8-12/h2-9,22H,10H2,1H3,(H,18,23)(H,20,21)/b19-9+
InChIKeyCHQUHSHJFVPSMM-DJKKODMXSA-N
MW328.33 g/mol
LogP0.68
Rot. Bonds6

About N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 135549590) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID135549590
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)c2cccnc2)c1O
InChIInChI=1S/C16H16N4O4/c1-24-13-6-2-4-11(15(13)22)9-19-20-14(21)10-18-16(23)12-5-3-7-17-8-12/h2-9,22H,10H2,1H3,(H,18,23)(H,20,21)/b19-9+
InChIKeyCHQUHSHJFVPSMM-DJKKODMXSA-N
XLogP0.68
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
CID 135533166
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyridine-3-carbohydrazide
CID 135589441
Pyrazine-2-carboxylic acid [1-(2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 135470912
(E)-N'-(2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide
CID 135439994
N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 5334728
N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 6898622
N-[(E)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6905925
(E)-N-(2-(2-(1-(2,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoethyl)nicotinamide
CID 9624876
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}isonicotinamide
CID 9643723
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)pyridine-3-carboxamide
CID 9657252

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (CID 135549590) is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is COc1cccc(/C=N/NC(=O)CNC(=O)c2cccnc2)c1O.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is CHQUHSHJFVPSMM-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-24-13-6-2-4-11(15(13)22)9-19-20-14(21)10-18-16(23)12-5-3-7-17-8-12/h2-9,22H,10H2,1H3,(H,18,23)(H,20,21)/b19-9+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135549590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).