4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol

C28H30N4O3 — CID 10838101

IUPAC4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol
SMILESCc1cccc(-c2cccc(COCc3cccc(-c4cccc(COCCCCO)n4)n3)n2)n1
InChIInChI=1S/C28H30N4O3/c1-21-8-4-12-25(29-21)26-13-6-10-23(31-26)19-35-20-24-11-7-15-28(32-24)27-14-5-9-22(30-27)18-34-17-3-2-16-33/h4-15,33H,2-3,16-20H2,1H3
InChIKeyKBKJJEDBIXEBDQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.91
Rot. Bonds12

About 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol

4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol (PubChem CID 10838101) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol.

Molecular Properties

Compound Name4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol
PubChem CID10838101
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol
SMILESCc1cccc(-c2cccc(COCc3cccc(-c4cccc(COCCCCO)n4)n3)n2)n1
InChIInChI=1S/C28H30N4O3/c1-21-8-4-12-25(29-21)26-13-6-10-23(31-26)19-35-20-24-11-7-15-28(32-24)27-14-5-9-22(30-27)18-34-17-3-2-16-33/h4-15,33H,2-3,16-20H2,1H3
InChIKeyKBKJJEDBIXEBDQ-UHFFFAOYSA-N
XLogP4.91
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604
4-(6-methyl-2-pyridinyl)butan-1-ol
CID 20689309
26,28-bis[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,27-diol
CID 12022445
2-(2-bromoethyl)-6-(6-methyl-2-pyridinyl)pyridine
CID 130153092
25,27-dibutoxy-26,28-bis[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonic acid
CID 12022447
2-[[26,28-dibutoxy-5,11,17,23-tetratert-butyl-27-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]-6-(6-methyl-2-pyridinyl)pyridine
CID 101213523
(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419496
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]butyl]-2-pyridinyl]pyridine
CID 71277471
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
2-methyl-6-(3-propoxypropyl)pyridine
CID 23516888
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol?
The IUPAC name of 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol (CID 10838101) is 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol.
What is the SMILES notation for 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol?
The canonical SMILES for 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol is Cc1cccc(-c2cccc(COCc3cccc(-c4cccc(COCCCCO)n4)n3)n2)n1.
What is the InChIKey of 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol?
The InChIKey is KBKJJEDBIXEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-21-8-4-12-25(29-21)26-13-6-10-23(31-26)19-35-20-24-11-7-15-28(32-24)27-14-5-9-22(30-27)18-34-17-3-2-16-33/h4-15,33H,2-3,16-20H2,1H3.
What are the key properties of 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol?
4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol has a molecular weight of 470.57 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxy]butan-1-ol is sourced from PubChem (CID 10838101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).