N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide

C24H26N4O4 — CID 137440307

IUPACN-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc1C#N
InChIInChI=1S/C24H26N4O4/c1-14-18(4-5-19-20(14)13-32-24(19)31)21(29)12-28-9-7-16(8-10-28)23(30)27-22-6-3-17(11-25)15(2)26-22/h3-6,16,21,29H,7-10,12-13H2,1-2H3,(H,26,27,30)
InChIKeyMLDTYUUPULKYEE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.62
Rot. Bonds5

About N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide

N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 137440307) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID137440307
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc1C#N
InChIInChI=1S/C24H26N4O4/c1-14-18(4-5-19-20(14)13-32-24(19)31)21(29)12-28-9-7-16(8-10-28)23(30)27-22-6-3-17(11-25)15(2)26-22/h3-6,16,21,29H,7-10,12-13H2,1-2H3,(H,26,27,30)
InChIKeyMLDTYUUPULKYEE-UHFFFAOYSA-N
XLogP2.62
TPSA115.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide (CID 137440307) is N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide is Cc1nc(NC(=O)C2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc1C#N.
What is the InChIKey of N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MLDTYUUPULKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14-18(4-5-19-20(14)13-32-24(19)31)21(29)12-28-9-7-16(8-10-28)23(30)27-22-6-3-17(11-25)15(2)26-22/h3-6,16,21,29H,7-10,12-13H2,1-2H3,(H,26,27,30).
What are the key properties of N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-methyl-2-pyridinyl)-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 137440307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).