3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol

C26H32N2O4 — CID 158125084

IUPAC3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol
SMILESCC1CC(O)C1.Oc1cccnc1.c1ccc(COC2CC(Oc3ccncc3)C2)cc1
InChIInChI=1S/C16H17NO2.C5H5NO.C5H10O/c1-2-4-13(5-3-1)12-18-15-10-16(11-15)19-14-6-8-17-9-7-14;7-5-2-1-3-6-4-5;1-4-2-5(6)3-4/h1-9,15-16H,10-12H2;1-4,7H;4-6H,2-3H2,1H3
InChIKeyFSBLMRZONPRIHX-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.77
Rot. Bonds5

About 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol

3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol (PubChem CID 158125084) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol.

Molecular Properties

Compound Name3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol
PubChem CID158125084
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol
SMILESCC1CC(O)C1.Oc1cccnc1.c1ccc(COC2CC(Oc3ccncc3)C2)cc1
InChIInChI=1S/C16H17NO2.C5H5NO.C5H10O/c1-2-4-13(5-3-1)12-18-15-10-16(11-15)19-14-6-8-17-9-7-14;7-5-2-1-3-6-4-5;1-4-2-5(6)3-4/h1-9,15-16H,10-12H2;1-4,7H;4-6H,2-3H2,1H3
InChIKeyFSBLMRZONPRIHX-UHFFFAOYSA-N
XLogP4.77
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol?
The IUPAC name of 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol (CID 158125084) is 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol.
What is the SMILES notation for 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol?
The canonical SMILES for 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol is CC1CC(O)C1.Oc1cccnc1.c1ccc(COC2CC(Oc3ccncc3)C2)cc1.
What is the InChIKey of 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol?
The InChIKey is FSBLMRZONPRIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C5H5NO.C5H10O/c1-2-4-13(5-3-1)12-18-15-10-16(11-15)19-14-6-8-17-9-7-14;7-5-2-1-3-6-4-5;1-4-2-5(6)3-4/h1-9,15-16H,10-12H2;1-4,7H;4-6H,2-3H2,1H3.
What are the key properties of 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol?
3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol has a molecular weight of 436.55 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutan-1-ol;4-(3-phenylmethoxycyclobutyl)oxypyridine;pyridin-3-ol is sourced from PubChem (CID 158125084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).