4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide

C14H14N4O3 — CID 115597400

IUPAC4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C14H14N4O3/c15-10-5-3-9(4-6-10)14(21)17-8-12(20)18-13-11(19)2-1-7-16-13/h1-7,19H,8,15H2,(H,17,21)(H,16,18,20)
InChIKeyVQKOHKIJGDJVDV-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.74
Rot. Bonds4

About 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 115597400) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID115597400
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C14H14N4O3/c15-10-5-3-9(4-6-10)14(21)17-8-12(20)18-13-11(19)2-1-7-16-13/h1-7,19H,8,15H2,(H,17,21)(H,16,18,20)
InChIKeyVQKOHKIJGDJVDV-UHFFFAOYSA-N
XLogP0.74
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 60550646
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18109524
3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 30161822
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
2-(cyclopropylamino)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 115976290
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 71910889
4-amino-N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43822670
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 115597400) is 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is Nc1ccc(C(=O)NCC(=O)Nc2ncccc2O)cc1.
What is the InChIKey of 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is VQKOHKIJGDJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-10-5-3-9(4-6-10)14(21)17-8-12(20)18-13-11(19)2-1-7-16-13/h1-7,19H,8,15H2,(H,17,21)(H,16,18,20).
What are the key properties of 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 286.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115597400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).