1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C19H22N4O6S — CID 55815918

IUPAC1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C19H22N4O6S/c1-13-5-3-7-18(20-13)21-19(24)14-6-4-10-22(12-14)30(27,28)17-11-15(23(25)26)8-9-16(17)29-2/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,20,21,24)
InChIKeyAUKHVHYVDMTOAP-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55815918) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55815918
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C19H22N4O6S/c1-13-5-3-7-18(20-13)21-19(24)14-6-4-10-22(12-14)30(27,28)17-11-15(23(25)26)8-9-16(17)29-2/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,20,21,24)
InChIKeyAUKHVHYVDMTOAP-UHFFFAOYSA-N
XLogP2.35
TPSA131.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 41302269
(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028451
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 2243365
N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 19583470
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 22430686
(3R)-N-(2,6-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397204
N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 87021590
1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 2206544
(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40595931
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302815
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55815918) is 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(C)n2)C1.
What is the InChIKey of 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is AUKHVHYVDMTOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-13-5-3-7-18(20-13)21-19(24)14-6-4-10-22(12-14)30(27,28)17-11-15(23(25)26)8-9-16(17)29-2/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,20,21,24).
What are the key properties of 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55815918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).