2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

C20H24N6O2S — CID 166021942

IUPAC2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4ncc(C(=O)NC)s4)CC3)cc2[nH]c1=O
InChIInChI=1S/C20H24N6O2S/c1-3-14-9-15-16(24-18(14)27)8-13(10-22-15)12-25-4-6-26(7-5-25)20-23-11-17(29-20)19(28)21-2/h8-11H,3-7,12H2,1-2H3,(H,21,28)(H,24,27)
InChIKeyYQDVTELAPFYXDY-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 166021942) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID166021942
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4ncc(C(=O)NC)s4)CC3)cc2[nH]c1=O
InChIInChI=1S/C20H24N6O2S/c1-3-14-9-15-16(24-18(14)27)8-13(10-22-15)12-25-4-6-26(7-5-25)20-23-11-17(29-20)19(28)21-2/h8-11H,3-7,12H2,1-2H3,(H,21,28)(H,24,27)
InChIKeyYQDVTELAPFYXDY-UHFFFAOYSA-N
XLogP1.62
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 166021942) is 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is CCc1cc2ncc(CN3CCN(c4ncc(C(=O)NC)s4)CC3)cc2[nH]c1=O.
What is the InChIKey of 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YQDVTELAPFYXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-3-14-9-15-16(24-18(14)27)8-13(10-22-15)12-25-4-6-26(7-5-25)20-23-11-17(29-20)19(28)21-2/h8-11H,3-7,12H2,1-2H3,(H,21,28)(H,24,27).
What are the key properties of 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166021942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).