N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H26N4O5S — CID 118160900

IUPACN-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCCC(=O)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1
InChIInChI=1S/C23H26N4O5S/c1-2-3-22(28)27-10-7-18(8-11-27)33(30,31)19-5-4-17(25-14-19)13-26-23(29)20-12-16-6-9-24-15-21(16)32-20/h4-6,9,12,14-15,18H,2-3,7-8,10-11,13H2,1H3,(H,26,29)
InChIKeyONUNUOSXKVXOJN-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.72
Rot. Bonds7

About N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118160900) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118160900
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCCC(=O)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1
InChIInChI=1S/C23H26N4O5S/c1-2-3-22(28)27-10-7-18(8-11-27)33(30,31)19-5-4-17(25-14-19)13-26-23(29)20-12-16-6-9-24-15-21(16)32-20/h4-6,9,12,14-15,18H,2-3,7-8,10-11,13H2,1H3,(H,26,29)
InChIKeyONUNUOSXKVXOJN-UHFFFAOYSA-N
XLogP2.72
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118160900) is N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CCCC(=O)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1.
What is the InChIKey of N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ONUNUOSXKVXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-2-3-22(28)27-10-7-18(8-11-27)33(30,31)19-5-4-17(25-14-19)13-26-23(29)20-12-16-6-9-24-15-21(16)32-20/h4-6,9,12,14-15,18H,2-3,7-8,10-11,13H2,1H3,(H,26,29).
What are the key properties of N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-butanoylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118160900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).