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

C30H20N2O — CID 168766430

IUPAC26-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
SMILESCc1c2cc3oc4ccccc4c3c1-c1ccccc1Nc1ccc(-c3ccccn3)cc1-2
InChIInChI=1S/C30H20N2O/c1-18-22-17-28-30(21-9-3-5-12-27(21)33-28)29(18)20-8-2-4-11-25(20)32-26-14-13-19(16-23(22)26)24-10-6-7-15-31-24/h2-17,32H,1H3
InChIKeySMICKUHMUHWZPA-UHFFFAOYSA-N
MW424.50 g/mol
LogP8.35
Rot. Bonds1

About 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

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 (PubChem CID 168766430) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name26-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
PubChem CID168766430
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name26-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
SMILESCc1c2cc3oc4ccccc4c3c1-c1ccccc1Nc1ccc(-c3ccccn3)cc1-2
InChIInChI=1S/C30H20N2O/c1-18-22-17-28-30(21-9-3-5-12-27(21)33-28)29(18)20-8-2-4-11-25(20)32-26-14-13-19(16-23(22)26)24-10-6-7-15-31-24/h2-17,32H,1H3
InChIKeySMICKUHMUHWZPA-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-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 with MolForge

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Related Compounds

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
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
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
2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 142491071
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
17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 176783543
2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
CID 140814590
4-(4-tert-butyl-2-pyridinyl)-19-methyl-8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaene
CID 168766397
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458604
2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
CID 134529300
CID 168766259
CID 168766259

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c2cc3oc4ccccc4c3c1-c1ccccc1Nc1ccc(-c3ccccn3)cc1-2.
What is the InChIKey of 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?
The InChIKey is SMICKUHMUHWZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c1-18-22-17-28-30(21-9-3-5-12-27(21)33-28)29(18)20-8-2-4-11-25(20)32-26-14-13-19(16-23(22)26)24-10-6-7-15-31-24/h2-17,32H,1H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 168766430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).