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

C20H19FN4O3S — CID 57393755

IUPAC5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2ncccc2c(N2CCCCS2(=O)=O)n1
InChIInChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)13-23-20(26)18-12-17-16(4-3-9-22-17)19(24-18)25-10-1-2-11-29(25,27)28/h3-9,12H,1-2,10-11,13H2,(H,23,26)
InChIKeyFRSVCFBDIVSCCI-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.63
Rot. Bonds4

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

5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 57393755) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID57393755
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2ncccc2c(N2CCCCS2(=O)=O)n1
InChIInChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)13-23-20(26)18-12-17-16(4-3-9-22-17)19(24-18)25-10-1-2-11-29(25,27)28/h3-9,12H,1-2,10-11,13H2,(H,23,26)
InChIKeyFRSVCFBDIVSCCI-UHFFFAOYSA-N
XLogP2.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide (CID 57393755) is 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2ncccc2c(N2CCCCS2(=O)=O)n1.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is FRSVCFBDIVSCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-15-7-5-14(6-8-15)13-23-20(26)18-12-17-16(4-3-9-22-17)19(24-18)25-10-1-2-11-29(25,27)28/h3-9,12H,1-2,10-11,13H2,(H,23,26).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.63, 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]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 57393755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).