2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

C54H55BrClN5O7 — CID 87727731

IUPAC2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cc(OC)ccc4Br)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(Cl)nc4)c3)CC2)cc1
InChIInChI=1S/C28H29BrN2O4.C26H26ClN3O3/c1-18-4-5-21(16-26(18)30-27(32)24-17-23(35-3)10-11-25(24)29)28(33)31-14-12-20(13-15-31)19-6-8-22(34-2)9-7-19;1-17-3-4-20(15-23(17)29-25(31)21-7-10-24(27)28-16-21)26(32)30-13-11-19(12-14-30)18-5-8-22(33-2)9-6-18/h4-11,16-17,20H,12-15H2,1-3H3,(H,30,32);3-10,15-16,19H,11-14H2,1-2H3,(H,29,31)
InChIKeyWGNCRWMQBUCSHZ-UHFFFAOYSA-N
MW1001.42 g/mol
LogP11.37
Rot. Bonds11

About 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 87727731) has the molecular formula C54H55BrClN5O7 and a molecular weight of 1001.42 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID87727731
Molecular FormulaC54H55BrClN5O7
Molecular Weight1001.42 g/mol
Exact Mass999.30
IUPAC Name2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cc(OC)ccc4Br)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(Cl)nc4)c3)CC2)cc1
InChIInChI=1S/C28H29BrN2O4.C26H26ClN3O3/c1-18-4-5-21(16-26(18)30-27(32)24-17-23(35-3)10-11-25(24)29)28(33)31-14-12-20(13-15-31)19-6-8-22(34-2)9-7-19;1-17-3-4-20(15-23(17)29-25(31)21-7-10-24(27)28-16-21)26(32)30-13-11-19(12-14-30)18-5-8-22(33-2)9-6-18/h4-11,16-17,20H,12-15H2,1-3H3,(H,30,32);3-10,15-16,19H,11-14H2,1-2H3,(H,29,31)
InChIKeyWGNCRWMQBUCSHZ-UHFFFAOYSA-N
XLogP11.37
TPSA139.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.42
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 86672527
6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 143672762
6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 69165670
6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118144180
6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118146951
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646006
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118146742
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144237

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (CID 87727731) is 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cc(OC)ccc4Br)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(Cl)nc4)c3)CC2)cc1.
What is the InChIKey of 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is WGNCRWMQBUCSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN2O4.C26H26ClN3O3/c1-18-4-5-21(16-26(18)30-27(32)24-17-23(35-3)10-11-25(24)29)28(33)31-14-12-20(13-15-31)19-6-8-22(34-2)9-7-19;1-17-3-4-20(15-23(17)29-25(31)21-7-10-24(27)28-16-21)26(32)30-13-11-19(12-14-30)18-5-8-22(33-2)9-6-18/h4-11,16-17,20H,12-15H2,1-3H3,(H,30,32);3-10,15-16,19H,11-14H2,1-2H3,(H,29,31).
What are the key properties of 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 1001.42 g/mol, XLogP of 11.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87727731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).