5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one

C17H24N4O2 — CID 126582851

IUPAC5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one
SMILESCOCC(C)Nc1cc(-c2cc(C)c(=O)n(C)c2)ccc1NN
InChIInChI=1S/C17H24N4O2/c1-11-7-14(9-21(3)17(11)22)13-5-6-15(20-18)16(8-13)19-12(2)10-23-4/h5-9,12,19-20H,10,18H2,1-4H3
InChIKeyOTZVYIAHDBPVGI-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.09
Rot. Bonds6

About 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one

5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one (PubChem CID 126582851) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one
PubChem CID126582851
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one
SMILESCOCC(C)Nc1cc(-c2cc(C)c(=O)n(C)c2)ccc1NN
InChIInChI=1S/C17H24N4O2/c1-11-7-14(9-21(3)17(11)22)13-5-6-15(20-18)16(8-13)19-12(2)10-23-4/h5-9,12,19-20H,10,18H2,1-4H3
InChIKeyOTZVYIAHDBPVGI-UHFFFAOYSA-N
XLogP2.09
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one (CID 126582851) is 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one is COCC(C)Nc1cc(-c2cc(C)c(=O)n(C)c2)ccc1NN.
What is the InChIKey of 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is OTZVYIAHDBPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-7-14(9-21(3)17(11)22)13-5-6-15(20-18)16(8-13)19-12(2)10-23-4/h5-9,12,19-20H,10,18H2,1-4H3.
What are the key properties of 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one?
5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 316.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 126582851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).