26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene

C30H20N2O — CID 168766417

IUPAC26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
SMILESCc1c2cccc1-c1ccc3c(oc4ccccc43)c1Nc1ccc(-c3ccccn3)cc1-2
InChIInChI=1S/C30H20N2O/c1-18-20-8-6-9-21(18)25-17-19(26-10-4-5-16-31-26)12-15-27(25)32-29-23(20)13-14-24-22-7-2-3-11-28(22)33-30(24)29/h2-17,32H,1H3
InChIKeyDGVMGPIMYAIYNG-UHFFFAOYSA-N
MW424.50 g/mol
LogP8.35
Rot. Bonds1

About 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene

26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene (PubChem CID 168766417) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene.

Molecular Properties

Compound Name26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
PubChem CID168766417
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
SMILESCc1c2cccc1-c1ccc3c(oc4ccccc43)c1Nc1ccc(-c3ccccn3)cc1-2
InChIInChI=1S/C30H20N2O/c1-18-20-8-6-9-21(18)25-17-19(26-10-4-5-16-31-26)12-15-27(25)32-29-23(20)13-14-24-22-7-2-3-11-28(22)33-30(24)29/h2-17,32H,1H3
InChIKeyDGVMGPIMYAIYNG-UHFFFAOYSA-N
XLogP8.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene with MolForge

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Related Compounds

19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
CID 168766413
26-methyl-4-pyridin-2-yl-23-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 168766430
CID 168766304
CID 168766304
CID 168766475
CID 168766475
2-dibenzofuran-4-ylpyridine
CID 59500175
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
26-methyl-12-(5-methyl-2-pyridinyl)-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
CID 168766309
26-methyl-4-[5-(trideuteriomethyl)-2-pyridinyl]-17-oxa-8-azahexacyclo[13.10.1.02,7.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene
CID 168766340
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
CID 168766293
CID 168766293
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707

Frequently Asked Questions

What is the IUPAC name of 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?
The IUPAC name of 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene (CID 168766417) is 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene.
What is the SMILES notation for 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?
The canonical SMILES for 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene is Cc1c2cccc1-c1ccc3c(oc4ccccc43)c1Nc1ccc(-c3ccccn3)cc1-2.
What is the InChIKey of 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?
The InChIKey is DGVMGPIMYAIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c1-18-20-8-6-9-21(18)25-17-19(26-10-4-5-16-31-26)12-15-27(25)32-29-23(20)13-14-24-22-7-2-3-11-28(22)33-30(24)29/h2-17,32H,1H3.
What are the key properties of 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?
26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene has a molecular weight of 424.50 g/mol, XLogP of 8.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methyl-19-pyridin-2-yl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene is sourced from PubChem (CID 168766417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).