N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide

C20H23FN4O4S — CID 110264257

IUPACN-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C20H23FN4O4S/c1-30(28,29)23-12-19(26)25-10-2-3-15(13-25)18-9-4-14(11-22-18)20(27)24-17-7-5-16(21)6-8-17/h4-9,11,15,23H,2-3,10,12-13H2,1H3,(H,24,27)
InChIKeyJOJLGZGGTKBMPV-UHFFFAOYSA-N
MW434.49 g/mol
LogP1.73
Rot. Bonds6

About N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 110264257) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
PubChem CID110264257
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC NameN-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C20H23FN4O4S/c1-30(28,29)23-12-19(26)25-10-2-3-15(13-25)18-9-4-14(11-22-18)20(27)24-17-7-5-16(21)6-8-17/h4-9,11,15,23H,2-3,10,12-13H2,1H3,(H,24,27)
InChIKeyJOJLGZGGTKBMPV-UHFFFAOYSA-N
XLogP1.73
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 110264285
N-cyclopentyl-6-[1-[2-(methanesulfonamido)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 92622486
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 110096368
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
CID 110085480
N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide
CID 92636902
6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
CID 92621905
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 92623221
N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264271
N-[2-[(3R)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]methanesulfonamide
CID 95562741

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide (CID 110264257) is N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide is CS(=O)(=O)NCC(=O)N1CCCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1.
What is the InChIKey of N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is JOJLGZGGTKBMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-30(28,29)23-12-19(26)25-10-2-3-15(13-25)18-9-4-14(11-22-18)20(27)24-17-7-5-16(21)6-8-17/h4-9,11,15,23H,2-3,10,12-13H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110264257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).