N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

C16H16N4O4 — CID 135679036

IUPACN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccn2)ccc1O
InChIInChI=1S/C16H16N4O4/c1-24-14-8-11(5-6-13(14)21)9-19-20-15(22)10-18-16(23)12-4-2-3-7-17-12/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)/b19-9+
InChIKeyINUHVFMIYYYOIS-DJKKODMXSA-N
MW328.33 g/mol
LogP0.68
Rot. Bonds6

About N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 135679036) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID135679036
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccn2)ccc1O
InChIInChI=1S/C16H16N4O4/c1-24-14-8-11(5-6-13(14)21)9-19-20-15(22)10-18-16(23)12-4-2-3-7-17-12/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)/b19-9+
InChIKeyINUHVFMIYYYOIS-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_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

2-bromo-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 2131603
4-chloro-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5061249
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135615922
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135679320
2-anilino-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136867320
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-benzyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 137063527

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (CID 135679036) is N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is COc1cc(/C=N/NC(=O)CNC(=O)c2ccccn2)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is INUHVFMIYYYOIS-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-24-14-8-11(5-6-13(14)21)9-19-20-15(22)10-18-16(23)12-4-2-3-7-17-12/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)/b19-9+.
What are the key properties of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-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-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135679036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).