methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C20H18N4O3 — CID 109290259

IUPACmethyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C20H18N4O3/c1-24(16-6-4-3-5-7-16)19(25)17-12-22-18(13-21-17)23-15-10-8-14(9-11-15)20(26)27-2/h3-13H,1-2H3,(H,22,23)
InChIKeyBMRLKJFFWFSTJN-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.28
Rot. Bonds5

About methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109290259) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109290259
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C20H18N4O3/c1-24(16-6-4-3-5-7-16)19(25)17-12-22-18(13-21-17)23-15-10-8-14(9-11-15)20(26)27-2/h3-13H,1-2H3,(H,22,23)
InChIKeyBMRLKJFFWFSTJN-UHFFFAOYSA-N
XLogP3.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290262
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162360

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109290259) is methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1.
What is the InChIKey of methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is BMRLKJFFWFSTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-24(16-6-4-3-5-7-16)19(25)17-12-22-18(13-21-17)23-15-10-8-14(9-11-15)20(26)27-2/h3-13H,1-2H3,(H,22,23).
What are the key properties of methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109290259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).