2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide

C16H17N3O2 — CID 142204388

IUPAC2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1O)c1ccncc1
InChIInChI=1S/C16H17N3O2/c1-2-5-14(12-8-10-17-11-9-12)18-19-16(21)13-6-3-4-7-15(13)20/h3-4,6-11,20H,2,5H2,1H3,(H,19,21)/b18-14-
InChIKeyYKQBKUCQJMGMES-JXAWBTAJSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds5

About 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide

2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide (PubChem CID 142204388) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
PubChem CID142204388
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
SMILESCCC/C(=N/NC(=O)c1ccccc1O)c1ccncc1
InChIInChI=1S/C16H17N3O2/c1-2-5-14(12-8-10-17-11-9-12)18-19-16(21)13-6-3-4-7-15(13)20/h3-4,6-11,20H,2,5H2,1H3,(H,19,21)/b18-14-
InChIKeyYKQBKUCQJMGMES-JXAWBTAJSA-N
XLogP2.72
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
CID 17337787
2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
CID 141408132
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide (CID 142204388) is 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide is CCC/C(=N/NC(=O)c1ccccc1O)c1ccncc1.
What is the InChIKey of 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide?
The InChIKey is YKQBKUCQJMGMES-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-5-14(12-8-10-17-11-9-12)18-19-16(21)13-6-3-4-7-15(13)20/h3-4,6-11,20H,2,5H2,1H3,(H,19,21)/b18-14-.
What are the key properties of 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide?
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide is sourced from PubChem (CID 142204388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).