2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine

C28H18N2O3 — CID 139320427

IUPAC2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine
SMILESCc1cc(-c2cc3cc4c(cc3o2)oc2cc3oc(-c5ccnc(C)c5)cc3cc24)ccn1
InChIInChI=1S/C28H18N2O3/c1-15-7-17(3-5-29-15)23-11-19-9-21-22-10-20-12-24(18-4-6-30-16(2)8-18)32-26(20)14-28(22)33-27(21)13-25(19)31-23/h3-14H,1-2H3
InChIKeyRRFRGVHXAULNSM-UHFFFAOYSA-N
MW430.46 g/mol
LogP7.82
Rot. Bonds2

About 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine

2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine (PubChem CID 139320427) has the molecular formula C28H18N2O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine
PubChem CID139320427
Molecular FormulaC28H18N2O3
Molecular Weight430.46 g/mol
Exact Mass430.13
IUPAC Name2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine
SMILESCc1cc(-c2cc3cc4c(cc3o2)oc2cc3oc(-c5ccnc(C)c5)cc3cc24)ccn1
InChIInChI=1S/C28H18N2O3/c1-15-7-17(3-5-29-15)23-11-19-9-21-22-10-20-12-24(18-4-6-30-16(2)8-18)32-26(20)14-28(22)33-27(21)13-25(19)31-23/h3-14H,1-2H3
InChIKeyRRFRGVHXAULNSM-UHFFFAOYSA-N
XLogP7.82
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine?
The IUPAC name of 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine (CID 139320427) is 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine?
The canonical SMILES for 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine is Cc1cc(-c2cc3cc4c(cc3o2)oc2cc3oc(-c5ccnc(C)c5)cc3cc24)ccn1.
What is the InChIKey of 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine?
The InChIKey is RRFRGVHXAULNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O3/c1-15-7-17(3-5-29-15)23-11-19-9-21-22-10-20-12-24(18-4-6-30-16(2)8-18)32-26(20)14-28(22)33-27(21)13-25(19)31-23/h3-14H,1-2H3.
What are the key properties of 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine?
2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine has a molecular weight of 430.46 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine is sourced from PubChem (CID 139320427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).