N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C24H29N5O3S — CID 30885844

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H29N5O3S/c1-18-23(19(2)29(27-18)17-20-7-4-3-5-8-20)16-26-24(30)21-10-13-28(14-11-21)33(31,32)22-9-6-12-25-15-22/h3-9,12,15,21H,10-11,13-14,16-17H2,1-2H3,(H,26,30)
InChIKeyPVQZXAIEVZFFNF-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.66
Rot. Bonds7

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 30885844) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID30885844
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H29N5O3S/c1-18-23(19(2)29(27-18)17-20-7-4-3-5-8-20)16-26-24(30)21-10-13-28(14-11-21)33(31,32)22-9-6-12-25-15-22/h3-9,12,15,21H,10-11,13-14,16-17H2,1-2H3,(H,26,30)
InChIKeyPVQZXAIEVZFFNF-UHFFFAOYSA-N
XLogP2.66
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46476797
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41077210
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 56724154
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 41447922

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 30885844) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PVQZXAIEVZFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-18-23(19(2)29(27-18)17-20-7-4-3-5-8-20)16-26-24(30)21-10-13-28(14-11-21)33(31,32)22-9-6-12-25-15-22/h3-9,12,15,21H,10-11,13-14,16-17H2,1-2H3,(H,26,30).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30885844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).