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

C15H15N3O2 — CID 3809486

IUPACN-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide
SMILESCCC(=NNC(=O)c1cccnc1)c1ccccc1O
InChIInChI=1S/C15H15N3O2/c1-2-13(12-7-3-4-8-14(12)19)17-18-15(20)11-6-5-9-16-10-11/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyQYWLHOOCIUBLTG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.33
Rot. Bonds4

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

N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide (PubChem CID 3809486) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide
PubChem CID3809486
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide
SMILESCCC(=NNC(=O)c1cccnc1)c1ccccc1O
InChIInChI=1S/C15H15N3O2/c1-2-13(12-7-3-4-8-14(12)19)17-18-15(20)11-6-5-9-16-10-11/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyQYWLHOOCIUBLTG-UHFFFAOYSA-N
XLogP2.33
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.33
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)propylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide (CID 3809486) is N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide is CCC(=NNC(=O)c1cccnc1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide?
The InChIKey is QYWLHOOCIUBLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-13(12-7-3-4-8-14(12)19)17-18-15(20)11-6-5-9-16-10-11/h3-10,19H,2H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide?
N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3809486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).