N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

C18H21N3O3S — CID 26187503

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1
InChIInChI=1S/C18H21N3O3S/c1-14-9-12-21(13-10-14)25(23,24)16-7-5-15(6-8-16)20-18(22)17-4-2-3-11-19-17/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyGRHKWMYCLAXLQX-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (PubChem CID 26187503) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
PubChem CID26187503
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1
InChIInChI=1S/C18H21N3O3S/c1-14-9-12-21(13-10-14)25(23,24)16-7-5-15(6-8-16)20-18(22)17-4-2-3-11-19-17/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyGRHKWMYCLAXLQX-UHFFFAOYSA-N
XLogP2.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 9492793
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
CID 39991070
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (CID 26187503) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The InChIKey is GRHKWMYCLAXLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-9-12-21(13-10-14)25(23,24)16-7-5-15(6-8-16)20-18(22)17-4-2-3-11-19-17/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 26187503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).