N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C16H16N4O5 — CID 135473288

IUPACN-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N4O5/c1-3-25-14-7-11(6-13(15(14)21)20(23)24)8-18-19-16(22)12-5-4-10(2)17-9-12/h4-9,21H,3H2,1-2H3,(H,19,22)/b18-8-
InChIKeyGLAYEDBBBULPPW-LSCVHKIXSA-N
MW344.33 g/mol
LogP2.17
Rot. Bonds6

About N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 135473288) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID135473288
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N4O5/c1-3-25-14-7-11(6-13(15(14)21)20(23)24)8-18-19-16(22)12-5-4-10(2)17-9-12/h4-9,21H,3H2,1-2H3,(H,19,22)/b18-8-
InChIKeyGLAYEDBBBULPPW-LSCVHKIXSA-N
XLogP2.17
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 135473288) is N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is GLAYEDBBBULPPW-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-3-25-14-7-11(6-13(15(14)21)20(23)24)8-18-19-16(22)12-5-4-10(2)17-9-12/h4-9,21H,3H2,1-2H3,(H,19,22)/b18-8-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135473288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).