2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C27H26N4O3 — CID 53001192

IUPAC2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC3CCCc4ccccc43)c3cccnc32)cc1
InChIInChI=1S/C27H26N4O3/c1-18-11-13-19(14-12-18)16-31-25-23(10-5-15-28-25)30(26(33)27(31)34)17-24(32)29-22-9-4-7-20-6-2-3-8-21(20)22/h2-3,5-6,8,10-15,22H,4,7,9,16-17H2,1H3,(H,29,32)
InChIKeyWFSMMDBAQYOSOF-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 53001192) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID53001192
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC3CCCc4ccccc43)c3cccnc32)cc1
InChIInChI=1S/C27H26N4O3/c1-18-11-13-19(14-12-18)16-31-25-23(10-5-15-28-25)30(26(33)27(31)34)17-24(32)29-22-9-4-7-20-6-2-3-8-21(20)22/h2-3,5-6,8,10-15,22H,4,7,9,16-17H2,1H3,(H,29,32)
InChIKeyWFSMMDBAQYOSOF-UHFFFAOYSA-N
XLogP3.11
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92869847
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 50781075
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92668962
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30730233
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7802621
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861044
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 53001192) is 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC3CCCc4ccccc43)c3cccnc32)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is WFSMMDBAQYOSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18-11-13-19(14-12-18)16-31-25-23(10-5-15-28-25)30(26(33)27(31)34)17-24(32)29-22-9-4-7-20-6-2-3-8-21(20)22/h2-3,5-6,8,10-15,22H,4,7,9,16-17H2,1H3,(H,29,32).
What are the key properties of 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 454.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 53001192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).