3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide

C20H20N4O4 — CID 11164888

IUPAC3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide
SMILESCCn1cc(C(=O)CC(=O)N/N=C/Cc2ccco2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H20N4O4/c1-3-24-12-16(19(27)15-7-6-13(2)22-20(15)24)17(25)11-18(26)23-21-9-8-14-5-4-10-28-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26)/b21-9+
InChIKeySBCWXHQWBNMJDZ-ZVBGSRNCSA-N
MW380.40 g/mol
LogP2.24
Rot. Bonds7

About 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide

3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide (PubChem CID 11164888) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide.

Molecular Properties

Compound Name3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide
PubChem CID11164888
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide
SMILESCCn1cc(C(=O)CC(=O)N/N=C/Cc2ccco2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H20N4O4/c1-3-24-12-16(19(27)15-7-6-13(2)22-20(15)24)17(25)11-18(26)23-21-9-8-14-5-4-10-28-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26)/b21-9+
InChIKeySBCWXHQWBNMJDZ-ZVBGSRNCSA-N
XLogP2.24
TPSA106.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide?
The IUPAC name of 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide (CID 11164888) is 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide.
What is the SMILES notation for 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide?
The canonical SMILES for 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide is CCn1cc(C(=O)CC(=O)N/N=C/Cc2ccco2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide?
The InChIKey is SBCWXHQWBNMJDZ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-24-12-16(19(27)15-7-6-13(2)22-20(15)24)17(25)11-18(26)23-21-9-8-14-5-4-10-28-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,23,26)/b21-9+.
What are the key properties of 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide?
3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide has a molecular weight of 380.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-2-(furan-2-yl)ethylideneamino]-3-oxopropanamide is sourced from PubChem (CID 11164888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).