5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide

C16H16N4O4S — CID 60513827

IUPAC5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H16N4O4S/c21-15(13-1-2-14(25-13)20(23)24)18-12-5-9-19(10-6-12)16(22)11-3-7-17-8-4-11/h1-4,7-8,12H,5-6,9-10H2,(H,18,21)
InChIKeyWWZAZWHDCGYNHI-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.09
Rot. Bonds4

About 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide

5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 60513827) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID60513827
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H16N4O4S/c21-15(13-1-2-14(25-13)20(23)24)18-12-5-9-19(10-6-12)16(22)11-3-7-17-8-4-11/h1-4,7-8,12H,5-6,9-10H2,(H,18,21)
InChIKeyWWZAZWHDCGYNHI-UHFFFAOYSA-N
XLogP2.09
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.09
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

N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-nitrothiophene-2-carboxamide
CID 16613614
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(4-methylcyclohexyl)-5-nitrothiophene-2-carboxamide
CID 17403471
2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
methyl 4-[(5-nitrothiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617239
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
[1-(4-chlorobenzoyl)piperidin-4-yl]-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 46456257
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
[(3R)-3-aminopyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 81468887
(4-tert-butylphenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 46464889

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (CID 60513827) is 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is WWZAZWHDCGYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c21-15(13-1-2-14(25-13)20(23)24)18-12-5-9-19(10-6-12)16(22)11-3-7-17-8-4-11/h1-4,7-8,12H,5-6,9-10H2,(H,18,21).
What are the key properties of 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 60513827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).