N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide

C17H17N5O6 — CID 135613895

IUPACN-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNC(=O)c2ccncc2)c1O
InChIInChI=1S/C17H17N5O6/c1-2-28-14-8-13(22(26)27)7-12(16(14)24)9-20-21-15(23)10-19-17(25)11-3-5-18-6-4-11/h3-9,24H,2,10H2,1H3,(H,19,25)(H,21,23)/b20-9+
InChIKeyOEFHWDGGWRPKCS-AWQFTUOYSA-N
MW387.35 g/mol
LogP0.97
Rot. Bonds8

About N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide

N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 135613895) has the molecular formula C17H17N5O6 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID135613895
Molecular FormulaC17H17N5O6
Molecular Weight387.35 g/mol
Exact Mass387.12
IUPAC NameN-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNC(=O)c2ccncc2)c1O
InChIInChI=1S/C17H17N5O6/c1-2-28-14-8-13(22(26)27)7-12(16(14)24)9-20-21-15(23)10-19-17(25)11-3-5-18-6-4-11/h3-9,24H,2,10H2,1H3,(H,19,25)(H,21,23)/b20-9+
InChIKeyOEFHWDGGWRPKCS-AWQFTUOYSA-N
XLogP0.97
TPSA156.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 135643368
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135643043
2-(2,5-dimethylphenoxy)-N-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 3854518
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590230
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
2-(4-bromo-2-nitrophenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135613874
N-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3099708
(2S)-N-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135562392
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135578890
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 135684835
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137138898

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (CID 135613895) is N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNC(=O)c2ccncc2)c1O.
What is the InChIKey of N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is OEFHWDGGWRPKCS-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H17N5O6/c1-2-28-14-8-13(22(26)27)7-12(16(14)24)9-20-21-15(23)10-19-17(25)11-3-5-18-6-4-11/h3-9,24H,2,10H2,1H3,(H,19,25)(H,21,23)/b20-9+.
What are the key properties of N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 135613895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).