1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one

C9H14N2O2 — CID 62879651

IUPAC1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one
SMILESCNCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C9H14N2O2/c1-10-6-9(13)7-11-4-2-8(12)3-5-11/h2-5,9-10,13H,6-7H2,1H3
InChIKeyPXXIGIFSGDXOIZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.57
Rot. Bonds4

About 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one

1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one (PubChem CID 62879651) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one
PubChem CID62879651
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one
SMILESCNCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C9H14N2O2/c1-10-6-9(13)7-11-4-2-8(12)3-5-11/h2-5,9-10,13H,6-7H2,1H3
InChIKeyPXXIGIFSGDXOIZ-UHFFFAOYSA-N
XLogP-0.57
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 59090940
CID 59090940
(Z)-4-(2-hydroxyethylamino)but-3-en-2-one
CID 59099821
(Z)-4-[[(1R)-2-hydroxy-1-methoxypropyl]amino]but-3-en-2-one
CID 173849012
2-hydroxyethyl(trimethyl)azanium;1H-pyridin-4-one
CID 175509346
(E)-4-(2-hydroxyethylamino)but-3-en-2-one
CID 10606767
1-(2-Hydroxypropyl)pyridin-4-one
CID 24741362
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-hydroxypropyl)pyridin-4-one
CID 62879825
1-[3-(2-Methoxyethylamino)propyl]pyridin-4-one
CID 62881035

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one (CID 62879651) is 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one is CNCC(O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one?
The InChIKey is PXXIGIFSGDXOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-10-6-9(13)7-11-4-2-8(12)3-5-11/h2-5,9-10,13H,6-7H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one?
1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one has a molecular weight of 182.22 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]pyridin-4-one is sourced from PubChem (CID 62879651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).