3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine

C25H19NO — CID 162485968

IUPAC3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine
SMILESCc1cccnc1-c1ccc2c(c1)Oc1cccc(C)c1-c1ccccc1-2
InChIInChI=1S/C25H19NO/c1-16-7-5-11-22-24(16)21-10-4-3-9-19(21)20-13-12-18(15-23(20)27-22)25-17(2)8-6-14-26-25/h3-15H,1-2H3
InChIKeyNWMMQVPEKCLPGX-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.81
Rot. Bonds1

About 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine

3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine (PubChem CID 162485968) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine.

Molecular Properties

Compound Name3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine
PubChem CID162485968
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine
SMILESCc1cccnc1-c1ccc2c(c1)Oc1cccc(C)c1-c1ccccc1-2
InChIInChI=1S/C25H19NO/c1-16-7-5-11-22-24(16)21-10-4-3-9-19(21)20-13-12-18(15-23(20)27-22)25-17(2)8-6-14-26-25/h3-15H,1-2H3
InChIKeyNWMMQVPEKCLPGX-UHFFFAOYSA-N
XLogP6.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine with MolForge

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Related Compounds

3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine
CID 162485936
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine?
The IUPAC name of 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine (CID 162485968) is 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine.
What is the SMILES notation for 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine?
The canonical SMILES for 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine is Cc1cccnc1-c1ccc2c(c1)Oc1cccc(C)c1-c1ccccc1-2.
What is the InChIKey of 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine?
The InChIKey is NWMMQVPEKCLPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-16-7-5-11-22-24(16)21-10-4-3-9-19(21)20-13-12-18(15-23(20)27-22)25-17(2)8-6-14-26-25/h3-15H,1-2H3.
What are the key properties of 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine?
3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine has a molecular weight of 349.43 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine is sourced from PubChem (CID 162485968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).