N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide

C15H17BrN4O — CID 155975375

IUPACN-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(Br)cnc1N1CCCC(NC(=O)C2CC2)C1
InChIInChI=1S/C15H17BrN4O/c16-12-6-11(7-17)14(18-8-12)20-5-1-2-13(9-20)19-15(21)10-3-4-10/h6,8,10,13H,1-5,9H2,(H,19,21)
InChIKeyMZYBBCJAOPUASB-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.21
Rot. Bonds3

About N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 155975375) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID155975375
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(Br)cnc1N1CCCC(NC(=O)C2CC2)C1
InChIInChI=1S/C15H17BrN4O/c16-12-6-11(7-17)14(18-8-12)20-5-1-2-13(9-20)19-15(21)10-3-4-10/h6,8,10,13H,1-5,9H2,(H,19,21)
InChIKeyMZYBBCJAOPUASB-UHFFFAOYSA-N
XLogP2.21
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.21
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-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide (CID 155975375) is N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide is N#Cc1cc(Br)cnc1N1CCCC(NC(=O)C2CC2)C1.
What is the InChIKey of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is MZYBBCJAOPUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-12-6-11(7-17)14(18-8-12)20-5-1-2-13(9-20)19-15(21)10-3-4-10/h6,8,10,13H,1-5,9H2,(H,19,21).
What are the key properties of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.21, 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-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155975375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).