4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide

C21H26BrN3O2 — CID 53465164

IUPAC4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC[C@H](CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1
InChIInChI=1S/C21H26BrN3O2/c1-15(2)25-10-4-5-16(14-25)13-24-21(26)20-12-19(8-9-23-20)27-18-7-3-6-17(22)11-18/h3,6-9,11-12,15-16H,4-5,10,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyQGHBVCQQPNSEOR-MRXNPFEDSA-N
MW432.36 g/mol
LogP4.49
Rot. Bonds6

About 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide

4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 53465164) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
PubChem CID53465164
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC[C@H](CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1
InChIInChI=1S/C21H26BrN3O2/c1-15(2)25-10-4-5-16(14-25)13-24-21(26)20-12-19(8-9-23-20)27-18-7-3-6-17(22)11-18/h3,6-9,11-12,15-16H,4-5,10,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyQGHBVCQQPNSEOR-MRXNPFEDSA-N
XLogP4.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465165
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95044733
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
2-(3-bromophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119397803
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide (CID 53465164) is 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide is CC(C)N1CCC[C@H](CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1.
What is the InChIKey of 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is QGHBVCQQPNSEOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-15(2)25-10-4-5-16(14-25)13-24-21(26)20-12-19(8-9-23-20)27-18-7-3-6-17(22)11-18/h3,6-9,11-12,15-16H,4-5,10,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide?
4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 432.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 53465164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).