(E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide

C19H29N3O3 — CID 147552252

IUPAC(E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide
SMILESCC/C=C/CC[C@H](NCC)C(=O)Nc1ccc(C)n(CC(C)=O)c1=O
InChIInChI=1S/C19H29N3O3/c1-5-7-8-9-10-16(20-6-2)18(24)21-17-12-11-14(3)22(19(17)25)13-15(4)23/h7-8,11-12,16,20H,5-6,9-10,13H2,1-4H3,(H,21,24)/b8-7+/t16-/m0/s1
InChIKeyFQZQRNBFPCFYNW-WAVCKPEOSA-N
MW347.46 g/mol
LogP2.41
Rot. Bonds10

About (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide

(E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide (PubChem CID 147552252) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide.

Molecular Properties

Compound Name(E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide
PubChem CID147552252
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide
SMILESCC/C=C/CC[C@H](NCC)C(=O)Nc1ccc(C)n(CC(C)=O)c1=O
InChIInChI=1S/C19H29N3O3/c1-5-7-8-9-10-16(20-6-2)18(24)21-17-12-11-14(3)22(19(17)25)13-15(4)23/h7-8,11-12,16,20H,5-6,9-10,13H2,1-4H3,(H,21,24)/b8-7+/t16-/m0/s1
InChIKeyFQZQRNBFPCFYNW-WAVCKPEOSA-N
XLogP2.41
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide?
The IUPAC name of (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide (CID 147552252) is (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide.
What is the SMILES notation for (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide?
The canonical SMILES for (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide is CC/C=C/CC[C@H](NCC)C(=O)Nc1ccc(C)n(CC(C)=O)c1=O.
What is the InChIKey of (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide?
The InChIKey is FQZQRNBFPCFYNW-WAVCKPEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-7-8-9-10-16(20-6-2)18(24)21-17-12-11-14(3)22(19(17)25)13-15(4)23/h7-8,11-12,16,20H,5-6,9-10,13H2,1-4H3,(H,21,24)/b8-7+/t16-/m0/s1.
What are the key properties of (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide?
(E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide has a molecular weight of 347.46 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-(ethylamino)-N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]oct-5-enamide is sourced from PubChem (CID 147552252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).