1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

C30H36N4O3S — CID 86296862

IUPAC1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)Cc1cc(/C=C/C(=O)N3CC=C(Cc4cccs4)CC3)cnc1NC2=O
InChIInChI=1S/C30H36N4O3S/c1-29(2,3)28(37)34-14-10-30(11-15-34)19-23-17-22(20-31-26(23)32-27(30)36)6-7-25(35)33-12-8-21(9-13-33)18-24-5-4-16-38-24/h4-8,16-17,20H,9-15,18-19H2,1-3H3,(H,31,32,36)/b7-6+
InChIKeyUFRMZRKUJHEWLX-VOTSOKGWSA-N
MW532.71 g/mol
LogP4.71
Rot. Bonds4

About 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (PubChem CID 86296862) has the molecular formula C30H36N4O3S and a molecular weight of 532.71 g/mol. Its IUPAC name is 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
PubChem CID86296862
Molecular FormulaC30H36N4O3S
Molecular Weight532.71 g/mol
Exact Mass532.25
IUPAC Name1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)Cc1cc(/C=C/C(=O)N3CC=C(Cc4cccs4)CC3)cnc1NC2=O
InChIInChI=1S/C30H36N4O3S/c1-29(2,3)28(37)34-14-10-30(11-15-34)19-23-17-22(20-31-26(23)32-27(30)36)6-7-25(35)33-12-8-21(9-13-33)18-24-5-4-16-38-24/h4-8,16-17,20H,9-15,18-19H2,1-3H3,(H,31,32,36)/b7-6+
InChIKeyUFRMZRKUJHEWLX-VOTSOKGWSA-N
XLogP4.71
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.71
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one 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 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (CID 86296862) is 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is CC(C)(C)C(=O)N1CCC2(CC1)Cc1cc(/C=C/C(=O)N3CC=C(Cc4cccs4)CC3)cnc1NC2=O.
What is the InChIKey of 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The InChIKey is UFRMZRKUJHEWLX-VOTSOKGWSA-N. The full InChI is InChI=1S/C30H36N4O3S/c1-29(2,3)28(37)34-14-10-30(11-15-34)19-23-17-22(20-31-26(23)32-27(30)36)6-7-25(35)33-12-8-21(9-13-33)18-24-5-4-16-38-24/h4-8,16-17,20H,9-15,18-19H2,1-3H3,(H,31,32,36)/b7-6+.
What are the key properties of 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one has a molecular weight of 532.71 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-dimethylpropanoyl)-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 86296862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).