1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C23H24N4O5S — CID 55700999

IUPAC1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cn2)C1
InChIInChI=1S/C23H24N4O5S/c24-22(28)16-5-4-12-27(14-16)21-11-8-17(13-25-21)26-23(29)20-10-9-18(32-20)15-33(30,31)19-6-2-1-3-7-19/h1-3,6-11,13,16H,4-5,12,14-15H2,(H2,24,28)(H,26,29)
InChIKeyMQLBIDXOBWCSCS-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.60
Rot. Bonds7

About 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700999) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55700999
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cn2)C1
InChIInChI=1S/C23H24N4O5S/c24-22(28)16-5-4-12-27(14-16)21-11-8-17(13-25-21)26-23(29)20-10-9-18(32-20)15-33(30,31)19-6-2-1-3-7-19/h1-3,6-11,13,16H,4-5,12,14-15H2,(H2,24,28)(H,26,29)
InChIKeyMQLBIDXOBWCSCS-UHFFFAOYSA-N
XLogP2.60
TPSA135.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
5-(phenoxymethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 43041629
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55968536
5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700999) is 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)cn2)C1.
What is the InChIKey of 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is MQLBIDXOBWCSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c24-22(28)16-5-4-12-27(14-16)21-11-8-17(13-25-21)26-23(29)20-10-9-18(32-20)15-33(30,31)19-6-2-1-3-7-19/h1-3,6-11,13,16H,4-5,12,14-15H2,(H2,24,28)(H,26,29).
What are the key properties of 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).