6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C25H26BrN3O3 — CID 55946355

IUPAC6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)CC2)c1
InChIInChI=1S/C25H26BrN3O3/c1-31-22-6-2-4-18(14-22)17-29-12-10-21(11-13-29)28-25(30)19-8-9-24(27-16-19)32-23-7-3-5-20(26)15-23/h2-9,14-16,21H,10-13,17H2,1H3,(H,28,30)
InChIKeyPYWYDOLRDGPUTR-UHFFFAOYSA-N
MW496.41 g/mol
LogP5.04
Rot. Bonds7

About 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 55946355) has the molecular formula C25H26BrN3O3 and a molecular weight of 496.41 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID55946355
Molecular FormulaC25H26BrN3O3
Molecular Weight496.41 g/mol
Exact Mass495.12
IUPAC Name6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)CC2)c1
InChIInChI=1S/C25H26BrN3O3/c1-31-22-6-2-4-18(14-22)17-29-12-10-21(11-13-29)28-25(30)19-8-9-24(27-16-19)32-23-7-3-5-20(26)15-23/h2-9,14-16,21H,10-13,17H2,1H3,(H,28,30)
InChIKeyPYWYDOLRDGPUTR-UHFFFAOYSA-N
XLogP5.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
2-(4-bromothiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 55946613
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 55946355) is 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(CN2CCC(NC(=O)c3ccc(Oc4cccc(Br)c4)nc3)CC2)c1.
What is the InChIKey of 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is PYWYDOLRDGPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O3/c1-31-22-6-2-4-18(14-22)17-29-12-10-21(11-13-29)28-25(30)19-8-9-24(27-16-19)32-23-7-3-5-20(26)15-23/h2-9,14-16,21H,10-13,17H2,1H3,(H,28,30).
What are the key properties of 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 496.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55946355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).