6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide

C28H31N3O3 — CID 23728803

IUPAC6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(OC4C[C@@H]5CC[C@@H](C4)N5C)c3)cn2)cc1
InChIInChI=1S/C28H31N3O3/c1-31-22-9-10-23(31)16-26(15-22)34-25-5-3-4-19(14-25)17-30-28(32)21-8-13-27(29-18-21)20-6-11-24(33-2)12-7-20/h3-8,11-14,18,22-23,26H,9-10,15-17H2,1-2H3,(H,30,32)/t22-,23-/m0/s1
InChIKeyBEDXNNTXGRSCCN-GOTSBHOMSA-N
MW457.57 g/mol
LogP4.69
Rot. Bonds7

About 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide

6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 23728803) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID23728803
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(OC4C[C@@H]5CC[C@@H](C4)N5C)c3)cn2)cc1
InChIInChI=1S/C28H31N3O3/c1-31-22-9-10-23(31)16-26(15-22)34-25-5-3-4-19(14-25)17-30-28(32)21-8-13-27(29-18-21)20-6-11-24(33-2)12-7-20/h3-8,11-14,18,22-23,26H,9-10,15-17H2,1-2H3,(H,30,32)/t22-,23-/m0/s1
InChIKeyBEDXNNTXGRSCCN-GOTSBHOMSA-N
XLogP4.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[3-[[(2R,4S,6R,8S)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-6-(4-methoxyphenyl)pyridine-3-carboxamide
CID 143500967
N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500933
N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
CID 73155028
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
N-[[3-[[(2R,4S,6R)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
CID 71177555
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500929
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
CID 68709089
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide
CID 143500950

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide (CID 23728803) is 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NCc3cccc(OC4C[C@@H]5CC[C@@H](C4)N5C)c3)cn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is BEDXNNTXGRSCCN-GOTSBHOMSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-31-22-9-10-23(31)16-26(15-22)34-25-5-3-4-19(14-25)17-30-28(32)21-8-13-27(29-18-21)20-6-11-24(33-2)12-7-20/h3-8,11-14,18,22-23,26H,9-10,15-17H2,1-2H3,(H,30,32)/t22-,23-/m0/s1.
What are the key properties of 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide?
6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 23728803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).