oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate

C23H25N5O4 — CID 143293362

IUPACoxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(NC(=O)OC3CCOC3)c2)n1
InChIInChI=1S/C23H25N5O4/c1-14-18(7-4-8-19(14)24)20-12-28(2)22(29)21(27-20)25-15-5-3-6-16(11-15)26-23(30)32-17-9-10-31-13-17/h3-8,11-12,17H,9-10,13,24H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyZHURJVMSTGVBKG-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.42
Rot. Bonds5

About oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate

oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate (PubChem CID 143293362) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
PubChem CID143293362
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameoxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(NC(=O)OC3CCOC3)c2)n1
InChIInChI=1S/C23H25N5O4/c1-14-18(7-4-8-19(14)24)20-12-28(2)22(29)21(27-20)25-15-5-3-6-16(11-15)26-23(30)32-17-9-10-31-13-17/h3-8,11-12,17H,9-10,13,24H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyZHURJVMSTGVBKG-UHFFFAOYSA-N
XLogP3.42
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
The IUPAC name of oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate (CID 143293362) is oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate is Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2cccc(NC(=O)OC3CCOC3)c2)n1.
What is the InChIKey of oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
The InChIKey is ZHURJVMSTGVBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14-18(7-4-8-19(14)24)20-12-28(2)22(29)21(27-20)25-15-5-3-6-16(11-15)26-23(30)32-17-9-10-31-13-17/h3-8,11-12,17H,9-10,13,24H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate?
oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 143293362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).