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

C18H24BrN5O — CID 172881149

IUPACN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(N(C)C(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C18H24BrN5O/c1-12-9-14(19)11-20-17(12)24-7-5-15(6-8-24)22(3)18(25)16-10-13(2)23(4)21-16/h9-11,15H,5-8H2,1-4H3
InChIKeyGERGZFQOKFSJEY-UHFFFAOYSA-N
MW406.33 g/mol
LogP2.94
Rot. Bonds3

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

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172881149) has the molecular formula C18H24BrN5O and a molecular weight of 406.33 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172881149
Molecular FormulaC18H24BrN5O
Molecular Weight406.33 g/mol
Exact Mass405.12
IUPAC NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(N(C)C(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C18H24BrN5O/c1-12-9-14(19)11-20-17(12)24-7-5-15(6-8-24)22(3)18(25)16-10-13(2)23(4)21-16/h9-11,15H,5-8H2,1-4H3
InChIKeyGERGZFQOKFSJEY-UHFFFAOYSA-N
XLogP2.94
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172881149) is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(Br)cnc1N1CCC(N(C)C(=O)c2cc(C)n(C)n2)CC1.
What is the InChIKey of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is GERGZFQOKFSJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5O/c1-12-9-14(19)11-20-17(12)24-7-5-15(6-8-24)22(3)18(25)16-10-13(2)23(4)21-16/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 406.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172881149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).