N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide

C12H16N4O3S — CID 107143521

IUPACN,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
SMILESCc1cnc(CNc2ccc(S(=O)(=O)N(C)C)cn2)o1
InChIInChI=1S/C12H16N4O3S/c1-9-6-15-12(19-9)8-14-11-5-4-10(7-13-11)20(17,18)16(2)3/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyGYLRSDJFGPLNFU-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.24
Rot. Bonds5

About N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide

N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 107143521) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
PubChem CID107143521
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
SMILESCc1cnc(CNc2ccc(S(=O)(=O)N(C)C)cn2)o1
InChIInChI=1S/C12H16N4O3S/c1-9-6-15-12(19-9)8-14-11-5-4-10(7-13-11)20(17,18)16(2)3/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyGYLRSDJFGPLNFU-UHFFFAOYSA-N
XLogP1.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-sulfonamide
CID 103703160
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide
CID 103341074
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide (CID 107143521) is N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide is Cc1cnc(CNc2ccc(S(=O)(=O)N(C)C)cn2)o1.
What is the InChIKey of N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is GYLRSDJFGPLNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-9-6-15-12(19-9)8-14-11-5-4-10(7-13-11)20(17,18)16(2)3/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide?
N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 107143521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).