1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one

C18H19ClN2O2 — CID 172759462

IUPAC1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESC#CCN(CCn1ccc(=O)c(O)c1C)Cc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-3-9-20(13-15-6-4-5-7-16(15)19)11-12-21-10-8-17(22)18(23)14(21)2/h1,4-8,10,23H,9,11-13H2,2H3
InChIKeyLMEWMARCXHLACJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one

1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one (PubChem CID 172759462) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one
PubChem CID172759462
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESC#CCN(CCn1ccc(=O)c(O)c1C)Cc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-3-9-20(13-15-6-4-5-7-16(15)19)11-12-21-10-8-17(22)18(23)14(21)2/h1,4-8,10,23H,9,11-13H2,2H3
InChIKeyLMEWMARCXHLACJ-UHFFFAOYSA-N
XLogP2.65
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)butyl]-3-hydroxy-2-methylpyridin-4-one
CID 82212099
3-hydroxy-2-methyl-1-propylpyridin-4-one;iron;hydrochloride
CID 67948190
4-[[(2-chlorophenyl)methyl-prop-2-ynylamino]methyl]-N-hydroxybenzamide
CID 175191139
3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one
CID 10267310
N-[[2-[[bis(prop-2-ynyl)amino]methyl]phenyl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
CID 175056682
4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-methylbutanamide
CID 10609176
bis(1-ethyl-3-hydroxy-2-methylpyridin-4-one);oxovanadium
CID 10883182
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
3-hydroxy-1,2-dimethylpyridin-4-one
CID 2972
(2S)-5-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-2-(prop-2-ynylamino)-4-sulfanylpentanoic acid
CID 58730262

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one (CID 172759462) is 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one is C#CCN(CCn1ccc(=O)c(O)c1C)Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is LMEWMARCXHLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-9-20(13-15-6-4-5-7-16(15)19)11-12-21-10-8-17(22)18(23)14(21)2/h1,4-8,10,23H,9,11-13H2,2H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one?
1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 330.82 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl-prop-2-ynylamino]ethyl]-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 172759462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).