4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide

C19H22BrN3O2 — CID 166603548

IUPAC4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(OCC2CCN(Cc3cccc(Br)c3)CC2)ccn1
InChIInChI=1S/C19H22BrN3O2/c20-16-3-1-2-15(10-16)12-23-8-5-14(6-9-23)13-25-17-4-7-22-18(11-17)19(21)24/h1-4,7,10-11,14H,5-6,8-9,12-13H2,(H2,21,24)
InChIKeyPPUXKNDKWSQZAF-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.23
Rot. Bonds6

About 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166603548) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166603548
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(OCC2CCN(Cc3cccc(Br)c3)CC2)ccn1
InChIInChI=1S/C19H22BrN3O2/c20-16-3-1-2-15(10-16)12-23-8-5-14(6-9-23)13-25-17-4-7-22-18(11-17)19(21)24/h1-4,7,10-11,14H,5-6,8-9,12-13H2,(H2,21,24)
InChIKeyPPUXKNDKWSQZAF-UHFFFAOYSA-N
XLogP3.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603390
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166601537
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
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603752
[1-[(3-bromophenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 75473118
4-[[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602822
4-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methoxy]pyridine-2-carboxamide
CID 166603591
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
4-[[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166603383
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166603548) is 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide is NC(=O)c1cc(OCC2CCN(Cc3cccc(Br)c3)CC2)ccn1.
What is the InChIKey of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is PPUXKNDKWSQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c20-16-3-1-2-15(10-16)12-23-8-5-14(6-9-23)13-25-17-4-7-22-18(11-17)19(21)24/h1-4,7,10-11,14H,5-6,8-9,12-13H2,(H2,21,24).
What are the key properties of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166603548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).