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

C14H13N3O2 — CID 761358

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccccc1O
InChIInChI=1S/C14H13N3O2/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)
InChIKeyXZBFPORYCXUBMI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.94
Rot. Bonds3

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

N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 761358) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID761358
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccccc1O
InChIInChI=1S/C14H13N3O2/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)
InChIKeyXZBFPORYCXUBMI-UHFFFAOYSA-N
XLogP1.94
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.94
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-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide (CID 761358) is N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is XZBFPORYCXUBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/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).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 761358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).