(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C22H25N3O3S — CID 45166586

IUPAC(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)C1CCCO1)C2
InChIInChI=1S/C22H25N3O3S/c1-15-19(13-24-21(26)7-6-17-4-3-11-29-17)18-8-9-25(14-16(18)12-23-15)22(27)20-5-2-10-28-20/h3-4,6-7,11-12,20H,2,5,8-10,13-14H2,1H3,(H,24,26)/b7-6+
InChIKeyNXBDFYGJHWYLTR-VOTSOKGWSA-N
MW411.53 g/mol
LogP2.84
Rot. Bonds5

About (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 45166586) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID45166586
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)C1CCCO1)C2
InChIInChI=1S/C22H25N3O3S/c1-15-19(13-24-21(26)7-6-17-4-3-11-29-17)18-8-9-25(14-16(18)12-23-15)22(27)20-5-2-10-28-20/h3-4,6-7,11-12,20H,2,5,8-10,13-14H2,1H3,(H,24,26)/b7-6+
InChIKeyNXBDFYGJHWYLTR-VOTSOKGWSA-N
XLogP2.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide 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 (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 45166586) is (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)C1CCCO1)C2.
What is the InChIKey of (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NXBDFYGJHWYLTR-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15-19(13-24-21(26)7-6-17-4-3-11-29-17)18-8-9-25(14-16(18)12-23-15)22(27)20-5-2-10-28-20/h3-4,6-7,11-12,20H,2,5,8-10,13-14H2,1H3,(H,24,26)/b7-6+.
What are the key properties of (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 411.53 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-methyl-7-(oxolane-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 45166586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).