N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine

C21H24FN5O2S — CID 110088790

IUPACN-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2)cc(C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C21H24FN5O2S/c1-15-10-19(25-18-7-5-17(22)6-8-18)11-20(24-15)16-4-3-9-27(12-16)30(28,29)21-13-26(2)14-23-21/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,24,25)
InChIKeyRVOWFYPKVBCULH-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.57
Rot. Bonds5

About N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine

N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine (PubChem CID 110088790) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
PubChem CID110088790
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC NameN-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2)cc(C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C21H24FN5O2S/c1-15-10-19(25-18-7-5-17(22)6-8-18)11-20(24-15)16-4-3-9-27(12-16)30(28,29)21-13-26(2)14-23-21/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,24,25)
InChIKeyRVOWFYPKVBCULH-UHFFFAOYSA-N
XLogP3.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
CID 124998034
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92503637
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine (CID 110088790) is N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine is Cc1cc(Nc2ccc(F)cc2)cc(C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine?
The InChIKey is RVOWFYPKVBCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-15-10-19(25-18-7-5-17(22)6-8-18)11-20(24-15)16-4-3-9-27(12-16)30(28,29)21-13-26(2)14-23-21/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,24,25).
What are the key properties of N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine?
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine has a molecular weight of 429.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 110088790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).