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

C14H12BrN3O3 — CID 18109524

IUPAC3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)Nc1ncccc1O
InChIInChI=1S/C14H12BrN3O3/c15-10-4-1-3-9(7-10)14(21)17-8-12(20)18-13-11(19)5-2-6-16-13/h1-7,19H,8H2,(H,17,21)(H,16,18,20)
InChIKeyVGOSBTGJGCBNKR-UHFFFAOYSA-N
MW350.17 g/mol
LogP1.92
Rot. Bonds4

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

3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 18109524) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID18109524
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)Nc1ncccc1O
InChIInChI=1S/C14H12BrN3O3/c15-10-4-1-3-9(7-10)14(21)17-8-12(20)18-13-11(19)5-2-6-16-13/h1-7,19H,8H2,(H,17,21)(H,16,18,20)
InChIKeyVGOSBTGJGCBNKR-UHFFFAOYSA-N
XLogP1.92
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 30161822
3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 60550646
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide
CID 26121561
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 18109524) is 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)Nc1ncccc1O.
What is the InChIKey of 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is VGOSBTGJGCBNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-10-4-1-3-9(7-10)14(21)17-8-12(20)18-13-11(19)5-2-6-16-13/h1-7,19H,8H2,(H,17,21)(H,16,18,20).
What are the key properties of 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 350.17 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18109524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).