N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide

C17H20BrN3O2 — CID 133361207

IUPACN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H20BrN3O2/c1-11-9-13(18)10-19-16(11)21-6-3-14(4-7-21)20-17(22)15-5-8-23-12(15)2/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22)
InChIKeyJTTCFOSTVFELIY-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.45
Rot. Bonds3

About N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 133361207) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
PubChem CID133361207
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H20BrN3O2/c1-11-9-13(18)10-19-16(11)21-6-3-14(4-7-21)20-17(22)15-5-8-23-12(15)2/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22)
InChIKeyJTTCFOSTVFELIY-UHFFFAOYSA-N
XLogP3.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide (CID 133361207) is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide is Cc1cc(Br)cnc1N1CCC(NC(=O)c2ccoc2C)CC1.
What is the InChIKey of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is JTTCFOSTVFELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-11-9-13(18)10-19-16(11)21-6-3-14(4-7-21)20-17(22)15-5-8-23-12(15)2/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide?
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 133361207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).