3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one

C14H18N3O- — CID 91327062

IUPAC3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one
SMILESC=N/C=C\C(=C/C)c1cc(N[CH-]C)c(=O)[nH]c1C
InChIInChI=1S/C14H18N3O/c1-5-11(7-8-15-4)12-9-13(16-6-2)14(18)17-10(12)3/h5-9,16H,4H2,1-3H3,(H,17,18)/q-1/b8-7-,11-5+
InChIKeyJSFLBVODKLFIRK-LTCQKBRTSA-N
MW244.32 g/mol
LogP2.89
Rot. Bonds5

About 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one

3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one (PubChem CID 91327062) has the molecular formula C14H18N3O- and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one
PubChem CID91327062
Molecular FormulaC14H18N3O-
Molecular Weight244.32 g/mol
Exact Mass244.15
IUPAC Name3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one
SMILESC=N/C=C\C(=C/C)c1cc(N[CH-]C)c(=O)[nH]c1C
InChIInChI=1S/C14H18N3O/c1-5-11(7-8-15-4)12-9-13(16-6-2)14(18)17-10(12)3/h5-9,16H,4H2,1-3H3,(H,17,18)/q-1/b8-7-,11-5+
InChIKeyJSFLBVODKLFIRK-LTCQKBRTSA-N
XLogP2.89
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one (CID 91327062) is 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one is C=N/C=C\C(=C/C)c1cc(N[CH-]C)c(=O)[nH]c1C.
What is the InChIKey of 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one?
The InChIKey is JSFLBVODKLFIRK-LTCQKBRTSA-N. The full InChI is InChI=1S/C14H18N3O/c1-5-11(7-8-15-4)12-9-13(16-6-2)14(18)17-10(12)3/h5-9,16H,4H2,1-3H3,(H,17,18)/q-1/b8-7-,11-5+.
What are the key properties of 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one?
3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one has a molecular weight of 244.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 91327062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).