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

C12H20N2O2 — CID 115475518

IUPAC1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
SMILESCC(C)CNCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H20N2O2/c1-10(2)7-13-8-11(15)9-14-6-4-3-5-12(14)16/h3-6,10-11,13,15H,7-9H2,1-2H3
InChIKeyDQAJNPPOXWKTRK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds6

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

1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one (PubChem CID 115475518) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
PubChem CID115475518
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
SMILESCC(C)CNCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H20N2O2/c1-10(2)7-13-8-11(15)9-14-6-4-3-5-12(14)16/h3-6,10-11,13,15H,7-9H2,1-2H3
InChIKeyDQAJNPPOXWKTRK-UHFFFAOYSA-N
XLogP0.45
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one
CID 113317741
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99876911
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 90624845
ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
CID 90624842
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-pyrazol-1-ylacetamide
CID 90624986

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one (CID 115475518) is 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one is CC(C)CNCC(O)Cn1ccccc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one?
The InChIKey is DQAJNPPOXWKTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)7-13-8-11(15)9-14-6-4-3-5-12(14)16/h3-6,10-11,13,15H,7-9H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one?
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one is sourced from PubChem (CID 115475518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).