N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide

C26H37N3O2 — CID 10224150

IUPACN-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C2CCN(CCCCC3CCCCC3)CC2)nc1
InChIInChI=1S/C26H37N3O2/c1-21-12-13-25(27-20-21)29(26(30)24-11-7-19-31-24)23-14-17-28(18-15-23)16-6-5-10-22-8-3-2-4-9-22/h7,11-13,19-20,22-23H,2-6,8-10,14-18H2,1H3
InChIKeyOWKBTBMZZIKVCN-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.84
Rot. Bonds8

About N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide

N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 10224150) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide
PubChem CID10224150
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)C2CCN(CCCCC3CCCCC3)CC2)nc1
InChIInChI=1S/C26H37N3O2/c1-21-12-13-25(27-20-21)29(26(30)24-11-7-19-31-24)23-14-17-28(18-15-23)16-6-5-10-22-8-3-2-4-9-22/h7,11-13,19-20,22-23H,2-6,8-10,14-18H2,1H3
InChIKeyOWKBTBMZZIKVCN-UHFFFAOYSA-N
XLogP5.84
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide (CID 10224150) is N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCCCC3CCCCC3)CC2)nc1.
What is the InChIKey of N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is OWKBTBMZZIKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-21-12-13-25(27-20-21)29(26(30)24-11-7-19-31-24)23-14-17-28(18-15-23)16-6-5-10-22-8-3-2-4-9-22/h7,11-13,19-20,22-23H,2-6,8-10,14-18H2,1H3.
What are the key properties of N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide?
N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 423.60 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylbutyl)piperidin-4-yl]-N-(5-methyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 10224150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).