1-(3-amino-2-hydroxypropyl)pyridin-4-one

C8H12N2O2 — CID 62879825

IUPAC1-(3-amino-2-hydroxypropyl)pyridin-4-one
SMILESNCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H12N2O2/c9-5-8(12)6-10-3-1-7(11)2-4-10/h1-4,8,12H,5-6,9H2
InChIKeyZGRMHDIMVNREQS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.83
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)pyridin-4-one

1-(3-amino-2-hydroxypropyl)pyridin-4-one (PubChem CID 62879825) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)pyridin-4-one
PubChem CID62879825
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(3-amino-2-hydroxypropyl)pyridin-4-one
SMILESNCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C8H12N2O2/c9-5-8(12)6-10-3-1-7(11)2-4-10/h1-4,8,12H,5-6,9H2
InChIKeyZGRMHDIMVNREQS-UHFFFAOYSA-N
XLogP-0.83
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Fluoro-2-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 165597488
CID 59090940
CID 59090940
2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one
CID 175509346
1-(2-Hydroxypropyl)pyridin-4-one
CID 24741362
1-[2-Hydroxy-3-(methylamino)propyl]pyridin-4-one
CID 62879651
1-[3-(Cyclopropylamino)-2-hydroxypropyl]pyridin-4-one
CID 62879652
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-ethoxypropyl)pyridin-4-one
CID 63072356
3-Amino-1-(2-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 82993802
1-[(2S)-2-hydroxypropyl]pyridin-4-one
CID 103935362

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)pyridin-4-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)pyridin-4-one (CID 62879825) is 1-(3-amino-2-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)pyridin-4-one is NCC(O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)pyridin-4-one?
The InChIKey is ZGRMHDIMVNREQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-5-8(12)6-10-3-1-7(11)2-4-10/h1-4,8,12H,5-6,9H2.
What are the key properties of 1-(3-amino-2-hydroxypropyl)pyridin-4-one?
1-(3-amino-2-hydroxypropyl)pyridin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 62879825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).