2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide

C13H12ClN3O2 — CID 153409482

IUPAC2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
SMILESCc1cc(O)c(N)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H12ClN3O2/c1-7-4-9(12(15)10(18)5-7)13(19)17-11-3-2-8(14)6-16-11/h2-6,18H,15H2,1H3,(H,16,17,19)
InChIKeyACESVMWNFSCABV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.58
Rot. Bonds2

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

2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide (PubChem CID 153409482) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
PubChem CID153409482
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
SMILESCc1cc(O)c(N)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H12ClN3O2/c1-7-4-9(12(15)10(18)5-7)13(19)17-11-3-2-8(14)6-16-11/h2-6,18H,15H2,1H3,(H,16,17,19)
InChIKeyACESVMWNFSCABV-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-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide
CID 67991287
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methyl-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 89063265
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide (CID 153409482) is 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide is Cc1cc(O)c(N)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide?
The InChIKey is ACESVMWNFSCABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-4-9(12(15)10(18)5-7)13(19)17-11-3-2-8(14)6-16-11/h2-6,18H,15H2,1H3,(H,16,17,19).
What are the key properties of 2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide?
2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide 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-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide is sourced from PubChem (CID 153409482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).