1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol

C16H22N2O2 — CID 82895596

IUPAC1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2cc(OC)cc(C)n2)c1
InChIInChI=1S/C16H22N2O2/c1-4-5-16(19)13-6-7-18(10-13)11-14-9-15(20-3)8-12(2)17-14/h6-10,16,19H,4-5,11H2,1-3H3
InChIKeyZIJLJJYWMHKUML-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.08
Rot. Bonds6

About 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol

1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol (PubChem CID 82895596) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
PubChem CID82895596
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2cc(OC)cc(C)n2)c1
InChIInChI=1S/C16H22N2O2/c1-4-5-16(19)13-6-7-18(10-13)11-14-9-15(20-3)8-12(2)17-14/h6-10,16,19H,4-5,11H2,1-3H3
InChIKeyZIJLJJYWMHKUML-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol with MolForge

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Related Compounds

2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol
CID 82885297
4-methoxy-2-methyl-6-(pyrrol-1-ylmethyl)pyridine
CID 82896081
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109233
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109391
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108378
1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109998
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
CID 82895318
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 106865848
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229070
1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]butan-1-ol
CID 79108886

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol (CID 82895596) is 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(Cc2cc(OC)cc(C)n2)c1.
What is the InChIKey of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol?
The InChIKey is ZIJLJJYWMHKUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-5-16(19)13-6-7-18(10-13)11-14-9-15(20-3)8-12(2)17-14/h6-10,16,19H,4-5,11H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol?
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 82895596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).