2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine

C17H22N2O — CID 144837530

IUPAC2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine
SMILESCc1ccc(C2=CCN(C)C(C3CCOCC3)=C2)cn1
InChIInChI=1S/C17H22N2O/c1-13-3-4-16(12-18-13)15-5-8-19(2)17(11-15)14-6-9-20-10-7-14/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeyQBDDLZQXZFBGOL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine

2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine (PubChem CID 144837530) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine
PubChem CID144837530
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine
SMILESCc1ccc(C2=CCN(C)C(C3CCOCC3)=C2)cn1
InChIInChI=1S/C17H22N2O/c1-13-3-4-16(12-18-13)15-5-8-19(2)17(11-15)14-6-9-20-10-7-14/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeyQBDDLZQXZFBGOL-UHFFFAOYSA-N
XLogP3.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(5-methylpyrazin-2-yl)-6-(6-methyl-3-pyridinyl)-3a,4-dihydroindol-2-one
CID 141468890
6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine
CID 172745522
(3S,5S)-5-[(6-methyl-3-pyridinyl)carbamoyl]-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 56889596
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one
CID 83261325
(3S,3aR,6aR)-3-[(6-methyl-3-pyridinyl)oxymethyl]-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124813405
2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine
CID 104823306
2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
CID 91911584
4-(4-methylphenyl)oxane
CID 46222621
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
2-methyl-5-(oxolan-3-ylmethyl)pyridine
CID 170611002
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine?
The IUPAC name of 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine (CID 144837530) is 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine?
The canonical SMILES for 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine is Cc1ccc(C2=CCN(C)C(C3CCOCC3)=C2)cn1.
What is the InChIKey of 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine?
The InChIKey is QBDDLZQXZFBGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-3-4-16(12-18-13)15-5-8-19(2)17(11-15)14-6-9-20-10-7-14/h3-5,11-12,14H,6-10H2,1-2H3.
What are the key properties of 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine?
2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-methyl-6-(oxan-4-yl)-2H-pyridin-4-yl]pyridine is sourced from PubChem (CID 144837530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).