(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C14H15NO3 — CID 115794614

IUPAC(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cncc(OC(C)C)c2)co1
InChIInChI=1S/C14H15NO3/c1-9(2)18-13-5-11(6-15-7-13)14(16)12-4-10(3)17-8-12/h4-9H,1-3H3
InChIKeyZRKHYSFUFMZQNG-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.00
Rot. Bonds4

About (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 115794614) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID115794614
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cncc(OC(C)C)c2)co1
InChIInChI=1S/C14H15NO3/c1-9(2)18-13-5-11(6-15-7-13)14(16)12-4-10(3)17-8-12/h4-9H,1-3H3
InChIKeyZRKHYSFUFMZQNG-UHFFFAOYSA-N
XLogP3.00
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 115794614) is (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone is Cc1cc(C(=O)c2cncc(OC(C)C)c2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is ZRKHYSFUFMZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)18-13-5-11(6-15-7-13)14(16)12-4-10(3)17-8-12/h4-9H,1-3H3.
What are the key properties of (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 245.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).