N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide

C19H23N3O4S — CID 47910567

IUPACN-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ccnc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H23N3O4S/c1-27(24,25)22-11-5-8-17(13-22)21-19(23)16-9-10-20-18(12-16)26-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,23)
InChIKeyUXACJAHVAOCEBK-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.81
Rot. Bonds6

About N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 47910567) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
PubChem CID47910567
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ccnc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H23N3O4S/c1-27(24,25)22-11-5-8-17(13-22)21-19(23)16-9-10-20-18(12-16)26-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,23)
InChIKeyUXACJAHVAOCEBK-UHFFFAOYSA-N
XLogP1.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
3-[[(R)-methylsulfinyl]methyl]-N-[(3S)-1-methylsulfonylpiperidin-3-yl]benzamide
CID 95305202
2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
(2R,3R)-2-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122116549
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenylmethoxypyridine-4-carboxamide
CID 55996590

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide (CID 47910567) is N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)c2ccnc(OCc3ccccc3)c2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is UXACJAHVAOCEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-27(24,25)22-11-5-8-17(13-22)21-19(23)16-9-10-20-18(12-16)26-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,23).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 47910567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).