N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide

C14H15N3O3S — CID 115910681

IUPACN-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
SMILESCc1cc(N)cnc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-9-6-11(15)8-16-13(9)17-14(18)10-4-3-5-12(7-10)21(2,19)20/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyOUGWORFXWJUECY-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.63
Rot. Bonds3

About N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide

N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide (PubChem CID 115910681) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
PubChem CID115910681
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
SMILESCc1cc(N)cnc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-9-6-11(15)8-16-13(9)17-14(18)10-4-3-5-12(7-10)21(2,19)20/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyOUGWORFXWJUECY-UHFFFAOYSA-N
XLogP1.63
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-3-iodobenzamide
CID 112555248
N-(5-amino-3-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115910718
N-(5-amino-3-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 115910671
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
CID 112555395
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide (CID 115910681) is N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide is Cc1cc(N)cnc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
The InChIKey is OUGWORFXWJUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-6-11(15)8-16-13(9)17-14(18)10-4-3-5-12(7-10)21(2,19)20/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide has a molecular weight of 305.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 115910681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).