N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C17H18N4O5S — CID 39887346

IUPACN-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H18N4O5S/c22-17(19-14-3-1-4-15(11-14)21(23)24)13-6-9-20(10-7-13)27(25,26)16-5-2-8-18-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,19,22)
InChIKeySXLPVCRMSUJIJM-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.03
Rot. Bonds5

About N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 39887346) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID39887346
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H18N4O5S/c22-17(19-14-3-1-4-15(11-14)21(23)24)13-6-9-20(10-7-13)27(25,26)16-5-2-8-18-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,19,22)
InChIKeySXLPVCRMSUJIJM-UHFFFAOYSA-N
XLogP2.03
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(4-methylsulfonylphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 16935188
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46412516
1-(3-nitrophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 3230707
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30894546
methyl 2-[4-[(3-nitrophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 39753193
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
1-pyridin-3-ylsulfonyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-4-carboxamide
CID 46408363
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 39887346) is N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SXLPVCRMSUJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c22-17(19-14-3-1-4-15(11-14)21(23)24)13-6-9-20(10-7-13)27(25,26)16-5-2-8-18-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,19,22).
What are the key properties of N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 39887346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).