6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide

C19H22N4O4S — CID 167955369

IUPAC6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C19H22N4O4S/c1-20-18(24)14-10-11-17(21-13-14)22-19(25)16-9-5-6-12-23(16)28(26,27)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,16H,5-6,9,12H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyMPTWBFOHTMKQBC-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.62
Rot. Bonds5

About 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide

6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 167955369) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID167955369
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C19H22N4O4S/c1-20-18(24)14-10-11-17(21-13-14)22-19(25)16-9-5-6-12-23(16)28(26,27)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,16H,5-6,9,12H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyMPTWBFOHTMKQBC-UHFFFAOYSA-N
XLogP1.62
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide
CID 55909975
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763
(2S)-1-(4-methylphenyl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 32947927
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 42890844
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
CID 60571418

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide (CID 167955369) is 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is MPTWBFOHTMKQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-20-18(24)14-10-11-17(21-13-14)22-19(25)16-9-5-6-12-23(16)28(26,27)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,16H,5-6,9,12H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide?
6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167955369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).