2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide

C13H12ClN3O2 — CID 67991287

IUPAC2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)cc(O)c2N)nc1
InChIInChI=1S/C13H12ClN3O2/c1-7-2-3-11(16-6-7)17-13(19)9-4-8(14)5-10(18)12(9)15/h2-6,18H,15H2,1H3,(H,16,17,19)
InChIKeyGPYOLMLYJUJYLJ-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.58
Rot. Bonds2

About 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide

2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 67991287) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID67991287
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(Cl)cc(O)c2N)nc1
InChIInChI=1S/C13H12ClN3O2/c1-7-2-3-11(16-6-7)17-13(19)9-4-8(14)5-10(18)12(9)15/h2-6,18H,15H2,1H3,(H,16,17,19)
InChIKeyGPYOLMLYJUJYLJ-UHFFFAOYSA-N
XLogP2.58
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
CID 153409482
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 112687750
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
5-amino-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 110488393
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 47265796
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
6-chloro-N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 103186850
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 62235642

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide (CID 67991287) is 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(Cl)cc(O)c2N)nc1.
What is the InChIKey of 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is GPYOLMLYJUJYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-2-3-11(16-6-7)17-13(19)9-4-8(14)5-10(18)12(9)15/h2-6,18H,15H2,1H3,(H,16,17,19).
What are the key properties of 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide?
2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 277.71 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 67991287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).