N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide

C15H15N3O3S — CID 163576698

IUPACN-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC#N
InChIInChI=1S/C15H15N3O3S/c1-12-7-8-14(15(19)18(12)10-9-16)17-22(20,21)11-13-5-3-2-4-6-13/h2-8,17H,10-11H2,1H3
InChIKeyGECVOTRHCZXECN-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.62
Rot. Bonds5

About N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide

N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide (PubChem CID 163576698) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
PubChem CID163576698
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC#N
InChIInChI=1S/C15H15N3O3S/c1-12-7-8-14(15(19)18(12)10-9-16)17-22(20,21)11-13-5-3-2-4-6-13/h2-8,17H,10-11H2,1H3
InChIKeyGECVOTRHCZXECN-UHFFFAOYSA-N
XLogP1.62
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-methanesulfonamide
CID 6488665
N-[1-(4-Methyl-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-methanesulfonamide
CID 6488641
N-ethyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870652
N,N-Diethyl-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53161491
N-Benzyl-2-(3-ethanesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-YL)-N-methylacetamide
CID 53161416
N,N-dimethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161459
N-Methyl-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]-N-propylacetamide
CID 53161484
1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methanesulfonamide
CID 75507166
3-Benzylsulfonylamino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926408
[[2-Oxo-1-(2-oxopropyl)-3-pyridinyl]amino] (2-fluorophenyl)methanesulfinate
CID 22943348
N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 57643363
1-(3-fluorophenyl)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]methanesulfonamide
CID 57643370

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide (CID 163576698) is N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC#N.
What is the InChIKey of N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The InChIKey is GECVOTRHCZXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-12-7-8-14(15(19)18(12)10-9-16)17-22(20,21)11-13-5-3-2-4-6-13/h2-8,17H,10-11H2,1H3.
What are the key properties of N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 163576698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).