5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C22H22N4O3S — CID 134805796

IUPAC5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3nc(C)cs3)cc21
InChIInChI=1S/C22H22N4O3S/c1-14-13-30-22(24-14)25-21(28)16-10-18-17(23-12-16)7-5-9-26(18)20(27)11-15-6-3-4-8-19(15)29-2/h3-4,6,8,10,12-13H,5,7,9,11H2,1-2H3,(H,24,25,28)
InChIKeyVLXFRXPXUWVHCU-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.63
Rot. Bonds5

About 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134805796) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134805796
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3nc(C)cs3)cc21
InChIInChI=1S/C22H22N4O3S/c1-14-13-30-22(24-14)25-21(28)16-10-18-17(23-12-16)7-5-9-26(18)20(27)11-15-6-3-4-8-19(15)29-2/h3-4,6,8,10,12-13H,5,7,9,11H2,1-2H3,(H,24,25,28)
InChIKeyVLXFRXPXUWVHCU-UHFFFAOYSA-N
XLogP3.63
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134805796) is 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1ccccc1CC(=O)N1CCCc2ncc(C(=O)Nc3nc(C)cs3)cc21.
What is the InChIKey of 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is VLXFRXPXUWVHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14-13-30-22(24-14)25-21(28)16-10-18-17(23-12-16)7-5-9-26(18)20(27)11-15-6-3-4-8-19(15)29-2/h3-4,6,8,10,12-13H,5,7,9,11H2,1-2H3,(H,24,25,28).
What are the key properties of 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134805796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).