5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide

C21H21FN4O3S — CID 59983155

IUPAC5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCCCS2(=O)=O)c2cccnc12
InChIInChI=1S/C21H21FN4O3S/c1-14-18-17(5-4-10-23-18)20(26-11-2-3-12-30(26,28)29)25-19(14)21(27)24-13-15-6-8-16(22)9-7-15/h4-10H,2-3,11-13H2,1H3,(H,24,27)
InChIKeyCQQCANNXYKJKRV-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.94
Rot. Bonds4

About 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide

5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide (PubChem CID 59983155) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide
PubChem CID59983155
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCCCS2(=O)=O)c2cccnc12
InChIInChI=1S/C21H21FN4O3S/c1-14-18-17(5-4-10-23-18)20(26-11-2-3-12-30(26,28)29)25-19(14)21(27)24-13-15-6-8-16(22)9-7-15/h4-10H,2-3,11-13H2,1H3,(H,24,27)
InChIKeyCQQCANNXYKJKRV-UHFFFAOYSA-N
XLogP2.94
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide 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 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide (CID 59983155) is 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide is Cc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCCCS2(=O)=O)c2cccnc12.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide?
The InChIKey is CQQCANNXYKJKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-14-18-17(5-4-10-23-18)20(26-11-2-3-12-30(26,28)29)25-19(14)21(27)24-13-15-6-8-16(22)9-7-15/h4-10H,2-3,11-13H2,1H3,(H,24,27).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-methyl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 59983155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).