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

C18H22BrN3O2 — CID 133361200

IUPACN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncc(Br)cc3C)CC2)c(C)o1
InChIInChI=1S/C18H22BrN3O2/c1-11-8-14(19)10-20-17(11)22-6-4-15(5-7-22)21-18(23)16-9-12(2)24-13(16)3/h8-10,15H,4-7H2,1-3H3,(H,21,23)
InChIKeyWBHSZLIFAGOEET-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.76
Rot. Bonds3

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

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 133361200) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID133361200
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncc(Br)cc3C)CC2)c(C)o1
InChIInChI=1S/C18H22BrN3O2/c1-11-8-14(19)10-20-17(11)22-6-4-15(5-7-22)21-18(23)16-9-12(2)24-13(16)3/h8-10,15H,4-7H2,1-3H3,(H,21,23)
InChIKeyWBHSZLIFAGOEET-UHFFFAOYSA-N
XLogP3.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133361207
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
N-[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 154785288
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133287159
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133294308

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 133361200) is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ncc(Br)cc3C)CC2)c(C)o1.
What is the InChIKey of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WBHSZLIFAGOEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-11-8-14(19)10-20-17(11)22-6-4-15(5-7-22)21-18(23)16-9-12(2)24-13(16)3/h8-10,15H,4-7H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 3.76, 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]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 133361200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).