(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C15H21NO3 — CID 114241870

IUPAC(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)C2CCOCC2C)c1
InChIInChI=1S/C15H21NO3/c1-10(2)19-13-6-12(7-16-8-13)15(17)14-4-5-18-9-11(14)3/h6-8,10-11,14H,4-5,9H2,1-3H3
InChIKeyVDBBFBYIWJQEEX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds4

About (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 114241870) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID114241870
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)C2CCOCC2C)c1
InChIInChI=1S/C15H21NO3/c1-10(2)19-13-6-12(7-16-8-13)15(17)14-4-5-18-9-11(14)3/h6-8,10-11,14H,4-5,9H2,1-3H3
InChIKeyVDBBFBYIWJQEEX-UHFFFAOYSA-N
XLogP2.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 154865526
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 138009746
methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
CID 177196861
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885

Frequently Asked Questions

What is the IUPAC name of (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 114241870) is (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1cncc(C(=O)C2CCOCC2C)c1.
What is the InChIKey of (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is VDBBFBYIWJQEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)19-13-6-12(7-16-8-13)15(17)14-4-5-18-9-11(14)3/h6-8,10-11,14H,4-5,9H2,1-3H3.
What are the key properties of (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 114241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).