4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid

C13H19N5O3S — CID 23449886

IUPAC4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid
SMILESCSc1nccc(C(=O)N(C)NC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C13H19N5O3S/c1-17(11(19)10-3-6-14-12(15-10)22-2)16-9-4-7-18(8-5-9)13(20)21/h3,6,9,16H,4-5,7-8H2,1-2H3,(H,20,21)
InChIKeyIQEQYXGFRQFEKW-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.92
Rot. Bonds4

About 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid

4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid (PubChem CID 23449886) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid
PubChem CID23449886
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid
SMILESCSc1nccc(C(=O)N(C)NC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C13H19N5O3S/c1-17(11(19)10-3-6-14-12(15-10)22-2)16-9-4-7-18(8-5-9)13(20)21/h3,6,9,16H,4-5,7-8H2,1-2H3,(H,20,21)
InChIKeyIQEQYXGFRQFEKW-UHFFFAOYSA-N
XLogP0.92
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 59120458
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
(E)-3-(dimethylamino)-1-(2-methylsulfanylpyrimidin-4-yl)prop-2-en-1-one;ethane
CID 91447435
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328377
potassium 2-methylsulfanylpyrimidine-4-carboxylate
CID 24820258
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602561
4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90775535
tert-butyl 4-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24958508
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872056

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid (CID 23449886) is 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid is CSc1nccc(C(=O)N(C)NC2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid?
The InChIKey is IQEQYXGFRQFEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-17(11(19)10-3-6-14-12(15-10)22-2)16-9-4-7-18(8-5-9)13(20)21/h3,6,9,16H,4-5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid?
4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-(2-methylsulfanylpyrimidine-4-carbonyl)hydrazinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 23449886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).