N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide

C14H15N3O2 — CID 112555246

IUPACN-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(N)cc2C)c(O)c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-11(12(18)5-8)14(19)17-13-9(2)6-10(15)7-16-13/h3-7,18H,15H2,1-2H3,(H,16,17,19)
InChIKeyYOEXISSHJVKWKQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.24
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide

N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide (PubChem CID 112555246) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
PubChem CID112555246
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(N)cc2C)c(O)c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-11(12(18)5-8)14(19)17-13-9(2)6-10(15)7-16-13/h3-7,18H,15H2,1-2H3,(H,16,17,19)
InChIKeyYOEXISSHJVKWKQ-UHFFFAOYSA-N
XLogP2.24
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide (CID 112555246) is N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc(N)cc2C)c(O)c1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is YOEXISSHJVKWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-4-11(12(18)5-8)14(19)17-13-9(2)6-10(15)7-16-13/h3-7,18H,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 112555246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).