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

C28H29N3O3 — CID 143500967

IUPACN-[[3-[[(2R,4S,6R,8S)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-6-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(O[C@H]4C[C@H]5C[C@H]6CN5[C@@H]6C4)c3)cn2)cc1
InChIInChI=1S/C28H29N3O3/c1-33-23-8-5-19(6-9-23)26-10-7-20(16-29-26)28(32)30-15-18-3-2-4-24(11-18)34-25-13-22-12-21-17-31(22)27(21)14-25/h2-11,16,21-22,25,27H,12-15,17H2,1H3,(H,30,32)/t21-,22+,25-,27+/m0/s1
InChIKeyDBDXSDIPJFHVKD-MZAVPQGISA-N
MW455.56 g/mol
LogP4.30
Rot. Bonds7

About 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

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 (PubChem CID 143500967) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[3-[[(2R,4S,6R,8S)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-6-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID143500967
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[[3-[[(2R,4S,6R,8S)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-6-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(O[C@H]4C[C@H]5C[C@H]6CN5[C@@H]6C4)c3)cn2)cc1
InChIInChI=1S/C28H29N3O3/c1-33-23-8-5-19(6-9-23)26-10-7-20(16-29-26)28(32)30-15-18-3-2-4-24(11-18)34-25-13-22-12-21-17-31(22)27(21)14-25/h2-11,16,21-22,25,27H,12-15,17H2,1H3,(H,30,32)/t21-,22+,25-,27+/m0/s1
InChIKeyDBDXSDIPJFHVKD-MZAVPQGISA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500929
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccc(C(=O)NCc3cccc(O[C@H]4C[C@H]5C[C@H]6CN5[C@@H]6C4)c3)cn2)cc1.
What is the InChIKey of 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?
The InChIKey is DBDXSDIPJFHVKD-MZAVPQGISA-N. The full InChI is InChI=1S/C28H29N3O3/c1-33-23-8-5-19(6-9-23)26-10-7-20(16-29-26)28(32)30-15-18-3-2-4-24(11-18)34-25-13-22-12-21-17-31(22)27(21)14-25/h2-11,16,21-22,25,27H,12-15,17H2,1H3,(H,30,32)/t21-,22+,25-,27+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 455.56 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143500967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).