N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

C15H15N3O3 — CID 135642283

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1O
InChIInChI=1S/C15H15N3O3/c1-2-21-14-8-11(5-6-13(14)19)9-17-18-15(20)12-4-3-7-16-10-12/h3-10,19H,2H2,1H3,(H,18,20)/b17-9+
InChIKeyPMGCFRMHNRKQMF-RQZCQDPDSA-N
MW285.30 g/mol
LogP1.95
Rot. Bonds5

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135642283) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135642283
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1O
InChIInChI=1S/C15H15N3O3/c1-2-21-14-8-11(5-6-13(14)19)9-17-18-15(20)12-4-3-7-16-10-12/h3-10,19H,2H2,1H3,(H,18,20)/b17-9+
InChIKeyPMGCFRMHNRKQMF-RQZCQDPDSA-N
XLogP1.95
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135642283) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is PMGCFRMHNRKQMF-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-21-14-8-11(5-6-13(14)19)9-17-18-15(20)12-4-3-7-16-10-12/h3-10,19H,2H2,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135642283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).