methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate

C23H21ClN4O3 — CID 53071632

IUPACmethyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C23H21ClN4O3/c1-31-22(29)18-10-9-17(24)14-19(18)26-23(30)28-13-12-27(15-16-6-3-2-4-7-16)21-20(28)8-5-11-25-21/h2-11,14H,12-13,15H2,1H3,(H,26,30)
InChIKeyPHNJVTALTCZZGE-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.58
Rot. Bonds4

About methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate

methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate (PubChem CID 53071632) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
PubChem CID53071632
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Namemethyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C23H21ClN4O3/c1-31-22(29)18-10-9-17(24)14-19(18)26-23(30)28-13-12-27(15-16-6-3-2-4-7-16)21-20(28)8-5-11-25-21/h2-11,14H,12-13,15H2,1H3,(H,26,30)
InChIKeyPHNJVTALTCZZGE-UHFFFAOYSA-N
XLogP4.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate (CID 53071632) is methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccccc2)c2ncccc21.
What is the InChIKey of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate?
The InChIKey is PHNJVTALTCZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-31-22(29)18-10-9-17(24)14-19(18)26-23(30)28-13-12-27(15-16-6-3-2-4-7-16)21-20(28)8-5-11-25-21/h2-11,14H,12-13,15H2,1H3,(H,26,30).
What are the key properties of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate?
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate has a molecular weight of 436.90 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 53071632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).