4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

C17H19BrN4O2 — CID 166601537

IUPAC4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(OCC2CCN(c3ccc(Br)cn3)CC2)ccn1
InChIInChI=1S/C17H19BrN4O2/c18-13-1-2-16(21-10-13)22-7-4-12(5-8-22)11-24-14-3-6-20-15(9-14)17(19)23/h1-3,6,9-10,12H,4-5,7-8,11H2,(H2,19,23)
InChIKeyAIIZRNPTVMSEBN-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.63
Rot. Bonds5

About 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166601537) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166601537
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(OCC2CCN(c3ccc(Br)cn3)CC2)ccn1
InChIInChI=1S/C17H19BrN4O2/c18-13-1-2-16(21-10-13)22-7-4-12(5-8-22)11-24-14-3-6-20-15(9-14)17(19)23/h1-3,6,9-10,12H,4-5,7-8,11H2,(H2,19,23)
InChIKeyAIIZRNPTVMSEBN-UHFFFAOYSA-N
XLogP2.63
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603383
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603548
4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603752
4-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methoxy]pyridine-2-carboxamide
CID 166603591
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
CID 155974715
4-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603626
4-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603390
4-[[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166600547
4-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602593

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166601537) is 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is NC(=O)c1cc(OCC2CCN(c3ccc(Br)cn3)CC2)ccn1.
What is the InChIKey of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is AIIZRNPTVMSEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c18-13-1-2-16(21-10-13)22-7-4-12(5-8-22)11-24-14-3-6-20-15(9-14)17(19)23/h1-3,6,9-10,12H,4-5,7-8,11H2,(H2,19,23).
What are the key properties of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166601537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).