N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

C22H18N4O3 — CID 25106722

IUPACN-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ncc(=O)n(Cc3ccc4ccccc4c3)c2=O)c1
InChIInChI=1S/C22H18N4O3/c1-15(27)24-19-7-4-8-20(12-19)26-22(29)25(21(28)13-23-26)14-16-9-10-17-5-2-3-6-18(17)11-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyGAINHAWBGFMONJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.55
Rot. Bonds4

About N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 25106722) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID25106722
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ncc(=O)n(Cc3ccc4ccccc4c3)c2=O)c1
InChIInChI=1S/C22H18N4O3/c1-15(27)24-19-7-4-8-20(12-19)26-22(29)25(21(28)13-23-26)14-16-9-10-17-5-2-3-6-18(17)11-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyGAINHAWBGFMONJ-UHFFFAOYSA-N
XLogP2.55
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-(3-acetamidophenyl)-3,5-dioxo-1,2,4-triazin-4-yl]methyl]benzoate
CID 25106809
N-[3-[6-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25107086
N-[3-[6-methyl-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106994
N-[3-[6-methoxy-4-[(2-methylindazol-5-yl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106293
N-[3-[6-methoxy-3,5-dioxo-4-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-2-yl]phenyl]acetamide
CID 59139847
N-[3-[4-[(4-chlorophenyl)methyl]-6-(dimethylamino)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 59139857
N-[3-[4-[(4-fluoro-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25107438
N-[3-[4-[[4-(dimethylamino)-3-fluorophenyl]methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 25106131
N-[3-[4-[(4-cyano-3-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68700860
N-[3-[4-[(3,5-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68701726
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-[3-[6-[4-(2-hydroxyethyl)anilino]-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]phenyl]acetamide
CID 136558577

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 25106722) is N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2ncc(=O)n(Cc3ccc4ccccc4c3)c2=O)c1.
What is the InChIKey of N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is GAINHAWBGFMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-15(27)24-19-7-4-8-20(12-19)26-22(29)25(21(28)13-23-26)14-16-9-10-17-5-2-3-6-18(17)11-16/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(naphthalen-2-ylmethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25106722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).