methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate

C13H12N4O3 — CID 970559

IUPACmethyl 2-(pyrazin-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C13H12N4O3/c1-20-12(18)9-4-2-3-5-10(9)16-13(19)17-11-8-14-6-7-15-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyUICWJBSNQLXDQG-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate

methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate (PubChem CID 970559) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyrazin-2-ylcarbamoylamino)benzoate
PubChem CID970559
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Namemethyl 2-(pyrazin-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C13H12N4O3/c1-20-12(18)9-4-2-3-5-10(9)16-13(19)17-11-8-14-6-7-15-11/h2-8H,1H3,(H2,15,16,17,19)
InChIKeyUICWJBSNQLXDQG-UHFFFAOYSA-N
XLogP1.91
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
Ethyl 4-({[(3-methyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 331787
methyl 2-{[(4-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate
CID 820099
2-[[[(5-Chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester
CID 970084
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate
CID 6468586
Ethyl 2-(benzoylamino)nicotinate
CID 302495
Methyl 2-[(2-chloro-4-pyrimidinyl)amino]benzoate
CID 1713300
2-(3-Pyridin-3-yl-ureido)-benzoic acid methyl ester
CID 647380
2-(2-Imidazol-1-yl-acetylamino)-benzoic acid methyl ester
CID 674827
Methyl 2-({[(3-pyridinylmethyl)amino]carbonyl}amino)benzoate
CID 970862
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate (CID 970559) is methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)Nc1cnccn1.
What is the InChIKey of methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate?
The InChIKey is UICWJBSNQLXDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-20-12(18)9-4-2-3-5-10(9)16-13(19)17-11-8-14-6-7-15-11/h2-8H,1H3,(H2,15,16,17,19).
What are the key properties of methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate?
methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate has a molecular weight of 272.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrazin-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).