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

C23H27N3O2 — CID 56893334

IUPAC[(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1cccc([C@H]2CN(C(=O)c3cccnc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1
InChIInChI=1S/C23H27N3O2/c1-15-19(7-4-10-24-15)23(27)26-14-20(17-5-3-6-18(13-17)28-2)22-21(26)16-8-11-25(22)12-9-16/h3-7,10,13,16,20-22H,8-9,11-12,14H2,1-2H3/t20-,21-,22-/m1/s1
InChIKeyMFDFFRPXTRDRDX-YPAWHYETSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds3

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

[(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 56893334) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID56893334
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1cccc([C@H]2CN(C(=O)c3cccnc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1
InChIInChI=1S/C23H27N3O2/c1-15-19(7-4-10-24-15)23(27)26-14-20(17-5-3-6-18(13-17)28-2)22-21(26)16-8-11-25(22)12-9-16/h3-7,10,13,16,20-22H,8-9,11-12,14H2,1-2H3/t20-,21-,22-/m1/s1
InChIKeyMFDFFRPXTRDRDX-YPAWHYETSA-N
XLogP3.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolopyridine, 29
CID 16720207
[4-(3-Methoxybenzoyl)piperazin-1-yl]-[4-(6-methyl-3-pyridinyl)phenyl]methanone
CID 122189057
[3-(5-Methoxy-1-methylindol-3-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 145991779
4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405529
(3-Methoxyphenyl)[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
CID 16190569
[2-(Hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone
CID 71456918
N-hydroxy-6-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]pyridine-3-carboxamide
CID 164614207
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(6-methylpyridine-3-carbonyl)piperazin-2-one
CID 122600835
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(5-methylpyridine-2-carbonyl)piperazin-2-one
CID 122600844
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 122600845
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-6-methyl-nicotinamide
CID 57384673
(7S)-N-[2-(3-methoxyphenyl)-2-methylpropyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282352

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone (CID 56893334) is [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone is COc1cccc([C@H]2CN(C(=O)c3cccnc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1.
What is the InChIKey of [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is MFDFFRPXTRDRDX-YPAWHYETSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-19(7-4-10-24-15)23(27)26-14-20(17-5-3-6-18(13-17)28-2)22-21(26)16-8-11-25(22)12-9-16/h3-7,10,13,16,20-22H,8-9,11-12,14H2,1-2H3/t20-,21-,22-/m1/s1.
What are the key properties of [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone?
[(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 56893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).