N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide

C14H15N3O3S — CID 61292977

IUPACN-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ncc1N
InChIInChI=1S/C14H15N3O3S/c1-9-7-13(16-8-12(9)15)17-14(18)10-3-5-11(6-4-10)21(2,19)20/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyIZCPKLCRAQNNSP-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.63
Rot. Bonds3

About N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide

N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide (PubChem CID 61292977) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
PubChem CID61292977
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ncc1N
InChIInChI=1S/C14H15N3O3S/c1-9-7-13(16-8-12(9)15)17-14(18)10-3-5-11(6-4-10)21(2,19)20/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyIZCPKLCRAQNNSP-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-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
CID 79175645
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
N-(5-amino-4-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 61293151
N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61292956
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(5-amino-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 18525004

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide (CID 61292977) is N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide is Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
The InChIKey is IZCPKLCRAQNNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-7-13(16-8-12(9)15)17-14(18)10-3-5-11(6-4-10)21(2,19)20/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide?
N-(5-amino-4-methyl-2-pyridinyl)-4-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-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 61292977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).