N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide

C17H23N5O3S — CID 97283559

IUPACN-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCn1nccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2cccnc2)C1
InChIInChI=1S/C17H23N5O3S/c1-2-22-16(7-9-20-22)26(24,25)21-10-4-5-14(13-21)11-19-17(23)15-6-3-8-18-12-15/h3,6-9,12,14H,2,4-5,10-11,13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyLEYGLFHWUIODMW-AWEZNQCLSA-N
MW377.47 g/mol
LogP1.13
Rot. Bonds6

About N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 97283559) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID97283559
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCn1nccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2cccnc2)C1
InChIInChI=1S/C17H23N5O3S/c1-2-22-16(7-9-20-22)26(24,25)21-10-4-5-14(13-21)11-19-17(23)15-6-3-8-18-12-15/h3,6-9,12,14H,2,4-5,10-11,13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyLEYGLFHWUIODMW-AWEZNQCLSA-N
XLogP1.13
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45195444
N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45231575
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 72904671
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 72837742
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
2-(2-methylimidazol-1-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]acetamide
CID 131907215

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide (CID 97283559) is N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide is CCn1nccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)c2cccnc2)C1.
What is the InChIKey of N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LEYGLFHWUIODMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-2-22-16(7-9-20-22)26(24,25)21-10-4-5-14(13-21)11-19-17(23)15-6-3-8-18-12-15/h3,6-9,12,14H,2,4-5,10-11,13H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 97283559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).