(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide

C16H21N5O3S — CID 51943461

IUPAC(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C16H21N5O3S/c1-25(23,24)20-8-2-4-14(12-20)16(22)18-11-13-5-7-17-15(10-13)21-9-3-6-19-21/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyNGLPJGMJJVJPGL-AWEZNQCLSA-N
MW363.44 g/mol
LogP0.56
Rot. Bonds5

About (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 51943461) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID51943461
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C16H21N5O3S/c1-25(23,24)20-8-2-4-14(12-20)16(22)18-11-13-5-7-17-15(10-13)21-9-3-6-19-21/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyNGLPJGMJJVJPGL-AWEZNQCLSA-N
XLogP0.56
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846913
1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
1-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133190377
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118696
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55745815
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 28550165
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51078198
(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 94177564

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide (CID 51943461) is (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccnc(-n3cccn3)c2)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is NGLPJGMJJVJPGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-25(23,24)20-8-2-4-14(12-20)16(22)18-11-13-5-7-17-15(10-13)21-9-3-6-19-21/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51943461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).