N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide

C16H24N4O4S — CID 49050534

IUPACN-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C16H24N4O4S/c1-3-18-16(22)13-6-5-9-20(11-13)15(21)12-19(2)25(23,24)14-7-4-8-17-10-14/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3,(H,18,22)
InChIKeyRGSOGEZSGLXODO-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.08
Rot. Bonds6

About N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide

N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide (PubChem CID 49050534) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide
PubChem CID49050534
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C16H24N4O4S/c1-3-18-16(22)13-6-5-9-20(11-13)15(21)12-19(2)25(23,24)14-7-4-8-17-10-14/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3,(H,18,22)
InChIKeyRGSOGEZSGLXODO-UHFFFAOYSA-N
XLogP0.08
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 119414940
N-[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 55956101
2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
CID 120527570
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 120569880
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 97336628
1-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354063
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
ethyl (3S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]piperidine-3-carboxylate
CID 2485823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide (CID 49050534) is N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
The InChIKey is RGSOGEZSGLXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-3-18-16(22)13-6-5-9-20(11-13)15(21)12-19(2)25(23,24)14-7-4-8-17-10-14/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3,(H,18,22).
What are the key properties of N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 49050534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).