2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide

C26H35FN4O3S — CID 42868192

IUPAC2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC2CCCN2C)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1
InChIInChI=1S/C26H35FN4O3S/c1-18-6-8-22(17-24(18)27)35(33,34)31-15-11-20(12-16-31)25-23(9-7-19(2)29-25)26(32)28-13-10-21-5-4-14-30(21)3/h6-9,17,20-21H,4-5,10-16H2,1-3H3,(H,28,32)
InChIKeyHTESSVGGDMQOPG-UHFFFAOYSA-N
MW502.66 g/mol
LogP3.62
Rot. Bonds7

About 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide

2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 42868192) has the molecular formula C26H35FN4O3S and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID42868192
Molecular FormulaC26H35FN4O3S
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC2CCCN2C)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1
InChIInChI=1S/C26H35FN4O3S/c1-18-6-8-22(17-24(18)27)35(33,34)31-15-11-20(12-16-31)25-23(9-7-19(2)29-25)26(32)28-13-10-21-5-4-14-30(21)3/h6-9,17,20-21H,4-5,10-16H2,1-3H3,(H,28,32)
InChIKeyHTESSVGGDMQOPG-UHFFFAOYSA-N
XLogP3.62
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42868215
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868186
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42868204
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42852218
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868185
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3596851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide (CID 42868192) is 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCC2CCCN2C)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1.
What is the InChIKey of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is HTESSVGGDMQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3S/c1-18-6-8-22(17-24(18)27)35(33,34)31-15-11-20(12-16-31)25-23(9-7-19(2)29-25)26(32)28-13-10-21-5-4-14-30(21)3/h6-9,17,20-21H,4-5,10-16H2,1-3H3,(H,28,32).
What are the key properties of 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide?
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 502.66 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 42868192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).