3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one

C14H22N2O2 — CID 142523753

IUPAC3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one
SMILESCCC(C)Nc1cccn(C2CCCOC2)c1=O
InChIInChI=1S/C14H22N2O2/c1-3-11(2)15-13-7-4-8-16(14(13)17)12-6-5-9-18-10-12/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3
InChIKeyNNWYIYKQCGNXLF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds4

About 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one

3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one (PubChem CID 142523753) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one
PubChem CID142523753
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one
SMILESCCC(C)Nc1cccn(C2CCCOC2)c1=O
InChIInChI=1S/C14H22N2O2/c1-3-11(2)15-13-7-4-8-16(14(13)17)12-6-5-9-18-10-12/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3
InChIKeyNNWYIYKQCGNXLF-UHFFFAOYSA-N
XLogP2.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one?
The IUPAC name of 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one (CID 142523753) is 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one is CCC(C)Nc1cccn(C2CCCOC2)c1=O.
What is the InChIKey of 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one?
The InChIKey is NNWYIYKQCGNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11(2)15-13-7-4-8-16(14(13)17)12-6-5-9-18-10-12/h4,7-8,11-12,15H,3,5-6,9-10H2,1-2H3.
What are the key properties of 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one?
3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-(oxan-3-yl)pyridin-2-one is sourced from PubChem (CID 142523753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).