methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate

C14H14N4O3 — CID 122136744

IUPACmethyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1nccnc1N
InChIInChI=1S/C14H14N4O3/c1-8-3-4-10(9(7-8)14(20)21-2)18-13(19)11-12(15)17-6-5-16-11/h3-7H,1-2H3,(H2,15,17)(H,18,19)
InChIKeyQECSWONFGQOECQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.41
Rot. Bonds3

About methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate

methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate (PubChem CID 122136744) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
PubChem CID122136744
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Namemethyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1nccnc1N
InChIInChI=1S/C14H14N4O3/c1-8-3-4-10(9(7-8)14(20)21-2)18-13(19)11-12(15)17-6-5-16-11/h3-7H,1-2H3,(H2,15,17)(H,18,19)
InChIKeyQECSWONFGQOECQ-UHFFFAOYSA-N
XLogP1.41
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
CID 62794085
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 79479514
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103859709
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
methyl 2-[[(2R)-2-aminopropanoyl]amino]-5-methylbenzoate
CID 54991021
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822092
methyl 2-(2-aminobutanoylamino)-5-methylbenzoate
CID 43701497
3-amino-N-(3-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 136524322
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
methyl 2-(2-fluoroprop-2-enoylamino)-5-methylbenzoate
CID 167908353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate?
The IUPAC name of methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate (CID 122136744) is methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(=O)c1nccnc1N.
What is the InChIKey of methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate?
The InChIKey is QECSWONFGQOECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-3-4-10(9(7-8)14(20)21-2)18-13(19)11-12(15)17-6-5-16-11/h3-7H,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate?
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate has a molecular weight of 286.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 122136744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).