methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C22H22N4O3 — CID 109282808

IUPACmethyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C(=O)OC)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-3-26(15-16-8-5-4-6-9-16)21(27)19-13-24-20(14-23-19)25-18-11-7-10-17(12-18)22(28)29-2/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyGALYOCHQCSLQLL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.67
Rot. Bonds7

About methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate

methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109282808) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109282808
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C(=O)OC)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-3-26(15-16-8-5-4-6-9-16)21(27)19-13-24-20(14-23-19)25-18-11-7-10-17(12-18)22(28)29-2/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyGALYOCHQCSLQLL-UHFFFAOYSA-N
XLogP3.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
CID 109282790
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799
N-benzyl-N-ethyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109282777
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
methyl 3-[[5-(pentylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109288066
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109282808) is methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate is CCN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(C(=O)OC)c2)cn1.
What is the InChIKey of methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is GALYOCHQCSLQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-26(15-16-8-5-4-6-9-16)21(27)19-13-24-20(14-23-19)25-18-11-7-10-17(12-18)22(28)29-2/h4-14H,3,15H2,1-2H3,(H,24,25).
What are the key properties of methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109282808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).