methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate

C16H18N4O3 — CID 109271303

IUPACmethyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C16H18N4O3/c1-10(2)19-15(21)13-8-18-14(9-17-13)20-12-6-4-11(5-7-12)16(22)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyUDHHCKSORLTGSB-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.14
Rot. Bonds5

About methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate

methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate (PubChem CID 109271303) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
PubChem CID109271303
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Namemethyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C16H18N4O3/c1-10(2)19-15(21)13-8-18-14(9-17-13)20-12-6-4-11(5-7-12)16(22)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyUDHHCKSORLTGSB-UHFFFAOYSA-N
XLogP2.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287411
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271349

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate (CID 109271303) is methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2cnc(C(=O)NC(C)C)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate?
The InChIKey is UDHHCKSORLTGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(2)19-15(21)13-8-18-14(9-17-13)20-12-6-4-11(5-7-12)16(22)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate?
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate has a molecular weight of 314.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109271303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).