5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide

C19H18N6O4S — CID 146345412

About 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide

5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 146345412) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 146345412
• Molecular Formula: C19H18N6O4S
• Molecular Weight: 426.46 g/mol
• Exact Mass: 426.11
• IUPAC Name: 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: CCC(=O)NC1CN(c2cc(C)c3c(=O)c(C(=O)N=O)cn(-c4nccs4)c3n2)C1
• InChI: InChI=1S/C19H18N6O4S/c1-3-14(26)21-11-7-24(8-11)13-6-10(2)15-16(27)12(18(28)23-29)9-25(17(15)22-13)19-20-4-5-30-19/h4-6,9,11H,3,7-8H2,1-2H3,(H,21,26)
• InChIKey: FJQPZUOXDNKERO-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 126.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.46
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide (CID 146345412) is 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide is CCC(=O)NC1CN(c2cc(C)c3c(=O)c(C(=O)N=O)cn(-c4nccs4)c3n2)C1.

What is the InChIKey of 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is FJQPZUOXDNKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-3-14(26)21-11-7-24(8-11)13-6-10(2)15-16(27)12(18(28)23-29)9-25(17(15)22-13)19-20-4-5-30-19/h4-6,9,11H,3,7-8H2,1-2H3,(H,21,26).

What are the key properties of 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide?

5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 146345412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).