(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide

C23H20N4O3 — CID 92902778

IUPAC(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(-c2cnn([C@@H](C)C(=O)Nc3cccc4ccccc34)c(=O)n2)cc1
InChIInChI=1S/C23H20N4O3/c1-15(22(28)25-20-9-5-7-16-6-3-4-8-19(16)20)27-23(29)26-21(14-24-27)17-10-12-18(30-2)13-11-17/h3-15H,1-2H3,(H,25,28)/t15-/m0/s1
InChIKeyJVXJNFWSPYLAIB-HNNXBMFYSA-N
MW400.44 g/mol
LogP3.67
Rot. Bonds5

About (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide

(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 92902778) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
PubChem CID92902778
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(-c2cnn([C@@H](C)C(=O)Nc3cccc4ccccc34)c(=O)n2)cc1
InChIInChI=1S/C23H20N4O3/c1-15(22(28)25-20-9-5-7-16-6-3-4-8-19(16)20)27-23(29)26-21(14-24-27)17-10-12-18(30-2)13-11-17/h3-15H,1-2H3,(H,25,28)/t15-/m0/s1
InChIKeyJVXJNFWSPYLAIB-HNNXBMFYSA-N
XLogP3.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062251
(2S)-N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062258
(2R)-N-(4-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062263
(2R)-N-(4-fluoro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062269
(2R)-N-(2-chloro-6-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 94009941
(2R)-N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902701
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902673
(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062265
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258
2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 51345656
(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 94009933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide (CID 92902778) is (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide is COc1ccc(-c2cnn([C@@H](C)C(=O)Nc3cccc4ccccc34)c(=O)n2)cc1.
What is the InChIKey of (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is JVXJNFWSPYLAIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15(22(28)25-20-9-5-7-16-6-3-4-8-19(16)20)27-23(29)26-21(14-24-27)17-10-12-18(30-2)13-11-17/h3-15H,1-2H3,(H,25,28)/t15-/m0/s1.
What are the key properties of (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide?
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 400.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 92902778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).