N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H24N4O4S — CID 30902817

IUPACN-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-21-19(25)16-6-4-15(5-7-16)13-23-20(26)17-8-11-24(12-9-17)29(27,28)18-3-2-10-22-14-18/h2-7,10,14,17H,8-9,11-13H2,1H3,(H,21,25)(H,23,26)
InChIKeyNFEJUOKFHVXAHS-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.16
Rot. Bonds6

About N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 30902817) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID30902817
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-21-19(25)16-6-4-15(5-7-16)13-23-20(26)17-8-11-24(12-9-17)29(27,28)18-3-2-10-22-14-18/h2-7,10,14,17H,8-9,11-13H2,1H3,(H,21,25)(H,23,26)
InChIKeyNFEJUOKFHVXAHS-UHFFFAOYSA-N
XLogP1.16
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55753804
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55575715
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
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
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 30902817) is N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CNC(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NFEJUOKFHVXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-21-19(25)16-6-4-15(5-7-16)13-23-20(26)17-8-11-24(12-9-17)29(27,28)18-3-2-10-22-14-18/h2-7,10,14,17H,8-9,11-13H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30902817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).