N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

C15H18BrN5O — CID 171993788

IUPACN-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ccc(Br)cn3)C2)n1
InChIInChI=1S/C15H18BrN5O/c1-20-8-6-13(19-20)15(22)18-12-3-2-7-21(10-12)14-5-4-11(16)9-17-14/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,18,22)
InChIKeyJZIIJYUFUYYCEQ-UHFFFAOYSA-N
MW364.25 g/mol
LogP1.98
Rot. Bonds3

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

N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171993788) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171993788
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ccc(Br)cn3)C2)n1
InChIInChI=1S/C15H18BrN5O/c1-20-8-6-13(19-20)15(22)18-12-3-2-7-21(10-12)14-5-4-11(16)9-17-14/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,18,22)
InChIKeyJZIIJYUFUYYCEQ-UHFFFAOYSA-N
XLogP1.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997949
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994017
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993464
N-[1-(7-bromoquinolin-2-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997574
1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
CID 171993697
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 66673305

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 171993788) is N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCCN(c3ccc(Br)cn3)C2)n1.
What is the InChIKey of N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JZIIJYUFUYYCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-20-8-6-13(19-20)15(22)18-12-3-2-7-21(10-12)14-5-4-11(16)9-17-14/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,18,22).
What are the key properties of N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171993788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).