N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C20H25FN4O3S — CID 55692860

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O3S/c1-24(2)19-16(6-5-11-22-19)14-23-20(26)15-9-12-25(13-10-15)29(27,28)18-8-4-3-7-17(18)21/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,23,26)
InChIKeyQPESZDFELIZDGC-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.00
Rot. Bonds6

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55692860) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55692860
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O3S/c1-24(2)19-16(6-5-11-22-19)14-23-20(26)15-9-12-25(13-10-15)29(27,28)18-8-4-3-7-17(18)21/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,23,26)
InChIKeyQPESZDFELIZDGC-UHFFFAOYSA-N
XLogP2.00
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butylsulfonyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55837999
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17498076
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55692806

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55692860) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is CN(C)c1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QPESZDFELIZDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-24(2)19-16(6-5-11-22-19)14-23-20(26)15-9-12-25(13-10-15)29(27,28)18-8-4-3-7-17(18)21/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55692860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).