1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone

C14H20N2O2 — CID 116587805

IUPAC1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
SMILESCCCNC1COCC1C(=O)Cc1cccnc1
InChIInChI=1S/C14H20N2O2/c1-2-5-16-13-10-18-9-12(13)14(17)7-11-4-3-6-15-8-11/h3-4,6,8,12-13,16H,2,5,7,9-10H2,1H3
InChIKeySVLKNTZPIZJITR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds6

About 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone

1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone (PubChem CID 116587805) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
PubChem CID116587805
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
SMILESCCCNC1COCC1C(=O)Cc1cccnc1
InChIInChI=1S/C14H20N2O2/c1-2-5-16-13-10-18-9-12(13)14(17)7-11-4-3-6-15-8-11/h3-4,6,8,12-13,16H,2,5,7,9-10H2,1H3
InChIKeySVLKNTZPIZJITR-UHFFFAOYSA-N
XLogP1.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
2-(1,3-diethylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587859
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
N-ethyl-4-(propylamino)-N-pyridin-4-yloxolane-3-carboxamide
CID 106935566
1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587763
2-(3-bromo-2,6-difluorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 106272670
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone (CID 116587805) is 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone is CCCNC1COCC1C(=O)Cc1cccnc1.
What is the InChIKey of 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone?
The InChIKey is SVLKNTZPIZJITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-5-16-13-10-18-9-12(13)14(17)7-11-4-3-6-15-8-11/h3-4,6,8,12-13,16H,2,5,7,9-10H2,1H3.
What are the key properties of 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone?
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 116587805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).