2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine

C17H20N2O2 — CID 174733971

IUPAC2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
SMILESCOc1cc(OC2CCN(C)C2)ccc1-c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-19-10-8-14(12-19)21-13-6-7-15(17(11-13)20-2)16-5-3-4-9-18-16/h3-7,9,11,14H,8,10,12H2,1-2H3
InChIKeyNSSMIEWRFVMFIG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine

2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine (PubChem CID 174733971) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine.

Molecular Properties

Compound Name2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
PubChem CID174733971
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
SMILESCOc1cc(OC2CCN(C)C2)ccc1-c1ccccn1
InChIInChI=1S/C17H20N2O2/c1-19-10-8-14(12-19)21-13-6-7-15(17(11-13)20-2)16-5-3-4-9-18-16/h3-7,9,11,14H,8,10,12H2,1-2H3
InChIKeyNSSMIEWRFVMFIG-UHFFFAOYSA-N
XLogP2.84
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine?
The IUPAC name of 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine (CID 174733971) is 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine.
What is the SMILES notation for 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine?
The canonical SMILES for 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine is COc1cc(OC2CCN(C)C2)ccc1-c1ccccn1.
What is the InChIKey of 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine?
The InChIKey is NSSMIEWRFVMFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19-10-8-14(12-19)21-13-6-7-15(17(11-13)20-2)16-5-3-4-9-18-16/h3-7,9,11,14H,8,10,12H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine?
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine has a molecular weight of 284.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine is sourced from PubChem (CID 174733971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).