N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate

C14H15N3O3 — CID 139206878

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate
SMILESC/C(=N\NC(=O)c1cccnc1)c1ccccc1O.O
InChIInChI=1S/C14H13N3O2.H2O/c1-10(12-6-2-3-7-13(12)18)16-17-14(19)11-5-4-8-15-9-11;/h2-9,18H,1H3,(H,17,19);1H2/b16-10+;
InChIKeyKYHZAZUYKYFNHC-QFHYWFJHSA-N
MW273.29 g/mol
LogP1.12
Rot. Bonds3

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate (PubChem CID 139206878) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate
PubChem CID139206878
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate
SMILESC/C(=N\NC(=O)c1cccnc1)c1ccccc1O.O
InChIInChI=1S/C14H13N3O2.H2O/c1-10(12-6-2-3-7-13(12)18)16-17-14(19)11-5-4-8-15-9-11;/h2-9,18H,1H3,(H,17,19);1H2/b16-10+;
InChIKeyKYHZAZUYKYFNHC-QFHYWFJHSA-N
XLogP1.12
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate (CID 139206878) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate is C/C(=N\NC(=O)c1cccnc1)c1ccccc1O.O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate?
The InChIKey is KYHZAZUYKYFNHC-QFHYWFJHSA-N. The full InChI is InChI=1S/C14H13N3O2.H2O/c1-10(12-6-2-3-7-13(12)18)16-17-14(19)11-5-4-8-15-9-11;/h2-9,18H,1H3,(H,17,19);1H2/b16-10+;.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate has a molecular weight of 273.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide;hydrate is sourced from PubChem (CID 139206878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).