2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide

C16H18BrN5O — CID 133360498

IUPAC2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C16H18BrN5O/c1-11-9-12(17)10-20-15(11)21-5-7-22(8-6-21)16-13(14(18)23)3-2-4-19-16/h2-4,9-10H,5-8H2,1H3,(H2,18,23)
InChIKeyDREPHYKBFNCZKV-UHFFFAOYSA-N
MW376.26 g/mol
LogP1.97
Rot. Bonds3

About 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133360498) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133360498
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(Br)cnc1N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C16H18BrN5O/c1-11-9-12(17)10-20-15(11)21-5-7-22(8-6-21)16-13(14(18)23)3-2-4-19-16/h2-4,9-10H,5-8H2,1H3,(H2,18,23)
InChIKeyDREPHYKBFNCZKV-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 79713141
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
benzyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 102257694
2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 163318701
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133373263
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
1-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 133373725
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 154822358

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (CID 133360498) is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1cc(Br)cnc1N1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is DREPHYKBFNCZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O/c1-11-9-12(17)10-20-15(11)21-5-7-22(8-6-21)16-13(14(18)23)3-2-4-19-16/h2-4,9-10H,5-8H2,1H3,(H2,18,23).
What are the key properties of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 376.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133360498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).