potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate

C12H18KN3O4S — CID 68815295

IUPACpotassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate
SMILESCCC(C)Nc1cc(C(=O)[O-])cc(N(C)S(C)(=O)=O)n1.[K+]
InChIInChI=1S/C12H19N3O4S.K/c1-5-8(2)13-10-6-9(12(16)17)7-11(14-10)15(3)20(4,18)19;/h6-8H,5H2,1-4H3,(H,13,14)(H,16,17);/q;+1/p-1
InChIKeyPRHOCWLKNHBPHC-UHFFFAOYSA-M
MW339.46 g/mol
LogP-2.94
Rot. Bonds6

About potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate

potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate (PubChem CID 68815295) has the molecular formula C12H18KN3O4S and a molecular weight of 339.46 g/mol. Its IUPAC name is potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate
PubChem CID68815295
Molecular FormulaC12H18KN3O4S
Molecular Weight339.46 g/mol
Exact Mass339.07
IUPAC Namepotassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate
SMILESCCC(C)Nc1cc(C(=O)[O-])cc(N(C)S(C)(=O)=O)n1.[K+]
InChIInChI=1S/C12H19N3O4S.K/c1-5-8(2)13-10-6-9(12(16)17)7-11(14-10)15(3)20(4,18)19;/h6-8H,5H2,1-4H3,(H,13,14)(H,16,17);/q;+1/p-1
InChIKeyPRHOCWLKNHBPHC-UHFFFAOYSA-M
XLogP-2.94
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 5-2.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(butan-2-ylamino)-N-[(1S,2S)-1-[(3S)-3-fluoropyrrolidin-2-yl]-1-hydroxy-3-phenylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
CID 68817448
2-(butan-2-ylamino)-N-[(1S)-1-hydroxy-1-(4-methyl-3-oxopiperazin-2-yl)-3-phenylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide;hydrochloride
CID 68816941
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
N-[6-[[(2S)-butan-2-yl]amino]-4-methyl-2-pyridinyl]-N-methylmethanesulfonamide;N-[2-[(2S)-2-methylazetidin-2-yl]ethyl]formamide;toluene
CID 143133616
4-[[(2R)-butan-2-yl]amino]-3,5-dinitrobenzoate
CID 7103888
ethyl 2-[[(2S)-butan-2-yl]amino]-6-methoxypyridine-4-carboxylate
CID 68815378
2-(butan-2-ylamino)-6-propylsulfinylpyridine-4-carboxylic acid
CID 68814739
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552

Frequently Asked Questions

What is the IUPAC name of potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate?
The IUPAC name of potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate (CID 68815295) is potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate is CCC(C)Nc1cc(C(=O)[O-])cc(N(C)S(C)(=O)=O)n1.[K+].
What is the InChIKey of potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate?
The InChIKey is PRHOCWLKNHBPHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19N3O4S.K/c1-5-8(2)13-10-6-9(12(16)17)7-11(14-10)15(3)20(4,18)19;/h6-8H,5H2,1-4H3,(H,13,14)(H,16,17);/q;+1/p-1.
What are the key properties of potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate?
potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate has a molecular weight of 339.46 g/mol, XLogP of -2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(butan-2-ylamino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 68815295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).