1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one

C11H16N2O2 — CID 62879652

IUPAC1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one
SMILESO=c1ccn(CC(O)CNC2CC2)cc1
InChIInChI=1S/C11H16N2O2/c14-10-3-5-13(6-4-10)8-11(15)7-12-9-1-2-9/h3-6,9,11-12,15H,1-2,7-8H2
InChIKeyIGBFIAVYMOFTIS-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one

1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one (PubChem CID 62879652) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one
PubChem CID62879652
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one
SMILESO=c1ccn(CC(O)CNC2CC2)cc1
InChIInChI=1S/C11H16N2O2/c14-10-3-5-13(6-4-10)8-11(15)7-12-9-1-2-9/h3-6,9,11-12,15H,1-2,7-8H2
InChIKeyIGBFIAVYMOFTIS-UHFFFAOYSA-N
XLogP-0.04
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-Hydroxy-3-(methylamino)propyl]pyridin-4-one
CID 62879651
1-[3-(Ethylamino)-2-hydroxypropyl]pyridin-4-one
CID 62879822
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one
CID 62879823
1-[2-Hydroxy-3-(propylamino)propyl]pyridin-4-one
CID 62879824
1-(3-Amino-2-hydroxypropyl)pyridin-4-one
CID 62879825
1-[3-(Cyclopropylamino)propyl]pyridin-4-one
CID 62880506
1-[3-(Tert-butylamino)-2-hydroxypropyl]pyridin-4-one
CID 115475711
1-[2-Hydroxy-3-(2-methoxyethylamino)propyl]pyridin-4-one
CID 115475712
1-[2-Hydroxy-3-(2-methylpropylamino)propyl]pyridin-4-one
CID 115475713
(E)-4-[[2-hydroxy-3-[[(E)-3-oxobut-1-enyl]amino]propyl]amino]but-3-en-2-one
CID 177471761

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one?
The IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one (CID 62879652) is 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one is O=c1ccn(CC(O)CNC2CC2)cc1.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one?
The InChIKey is IGBFIAVYMOFTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-3-5-13(6-4-10)8-11(15)7-12-9-1-2-9/h3-6,9,11-12,15H,1-2,7-8H2.
What are the key properties of 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one?
1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-4-one is sourced from PubChem (CID 62879652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).