[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone

C22H25N3O2 — CID 72843876

IUPAC[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1
InChIInChI=1S/C22H25N3O2/c1-14-5-6-17(12-23-14)22(27)25-13-19(16-3-2-4-18(26)11-16)21-20(25)15-7-9-24(21)10-8-15/h2-6,11-12,15,19-21,26H,7-10,13H2,1H3/t19-,20+,21+/m0/s1
InChIKeyRBRUVWOLPFQGDN-PWRODBHTSA-N
MW363.46 g/mol
LogP2.80
Rot. Bonds2

About [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone

[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 72843876) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID72843876
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1
InChIInChI=1S/C22H25N3O2/c1-14-5-6-17(12-23-14)22(27)25-13-19(16-3-2-4-18(26)11-16)21-20(25)15-7-9-24(21)10-8-15/h2-6,11-12,15,19-21,26H,7-10,13H2,1H3/t19-,20+,21+/m0/s1
InChIKeyRBRUVWOLPFQGDN-PWRODBHTSA-N
XLogP2.80
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-hydroxypyrrolo[1,2-a]quinoline-2-carboxamide
CID 155524051
3-[5-(3-Hydroxyphenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
CID 71570429
2-({2-[2-(3-Hydroxyphenyl)ethyl]piperidin-1-yl}methyl)nicotinic acid
CID 50969668
[(3aR,7aR)-5-pyridin-3-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4-hydroxyphenyl)methanone
CID 97409892
19-Ethenyl-7-hydroxy-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one
CID 5318147
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 9825263
2-(1-Azabicyclo[2.2.2]octan-3-yl)-8-hydroxy-5-methylpyrido[4,3-b]indol-1-one
CID 19778097
3-(5-{[4-(2-Phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-yl)phenol
CID 56870750
[2-(4-Hydroxyphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 47466511
(2R*,3S*,6R*)-3-(3-methoxyphenyl)-5-[(2-methyl-3-pyridinyl)carbonyl]-1,5-diazatricyclo[5.2.2.0~2,6~]undecane
CID 56893334
3-[(3R*,3aR*,7aR*)-1-(pyrazin-2-ylcarbonyl)octahydro-4,7-ethanopyrrolo[3,2-b]pyridin-3-yl]phenol
CID 72897843
N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide
CID 95710206

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone (CID 72843876) is [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1.
What is the InChIKey of [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is RBRUVWOLPFQGDN-PWRODBHTSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-5-6-17(12-23-14)22(27)25-13-19(16-3-2-4-18(26)11-16)21-20(25)15-7-9-24(21)10-8-15/h2-6,11-12,15,19-21,26H,7-10,13H2,1H3/t19-,20+,21+/m0/s1.
What are the key properties of [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone?
[(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 363.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-3-(3-hydroxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 72843876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).