[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone

C16H18BrN3O2 — CID 133373359

IUPAC[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(Br)cnc1NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18BrN3O2/c1-11-9-12(17)10-18-15(11)19-13-4-6-20(7-5-13)16(21)14-3-2-8-22-14/h2-3,8-10,13H,4-7H2,1H3,(H,18,19)
InChIKeyBGTDLOMCCQWDSC-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.46
Rot. Bonds3

About [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 133373359) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID133373359
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(Br)cnc1NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18BrN3O2/c1-11-9-12(17)10-18-15(11)19-13-4-6-20(7-5-13)16(21)14-3-2-8-22-14/h2-3,8-10,13H,4-7H2,1H3,(H,18,19)
InChIKeyBGTDLOMCCQWDSC-UHFFFAOYSA-N
XLogP3.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133481723
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
CID 79717567
furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
(2R)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)propanamide
CID 126446303
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)propanamide
CID 119070793

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 133373359) is [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone is Cc1cc(Br)cnc1NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BGTDLOMCCQWDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-11-9-12(17)10-18-15(11)19-13-4-6-20(7-5-13)16(21)14-3-2-8-22-14/h2-3,8-10,13H,4-7H2,1H3,(H,18,19).
What are the key properties of [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 364.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 133373359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).