methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate

C14H13N3O3 — CID 12580941

IUPACmethyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
SMILESCOC(=O)C(NC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)12(10-5-3-2-4-6-10)17-13(18)11-9-15-7-8-16-11/h2-9,12H,1H3,(H,17,18)
InChIKeyCBMVMLFSIYLPFZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate

methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate (PubChem CID 12580941) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
PubChem CID12580941
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
SMILESCOC(=O)C(NC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)12(10-5-3-2-4-6-10)17-13(18)11-9-15-7-8-16-11/h2-9,12H,1H3,(H,17,18)
InChIKeyCBMVMLFSIYLPFZ-UHFFFAOYSA-N
XLogP1.12
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
cis-methyl (1R,2S)-2-[(R)-phenyl-(pyrazine-2-carbonylamino)methyl]cyclopropane-1-carboxylate
CID 21014180
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
CID 64539915
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate (CID 12580941) is methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate is COC(=O)C(NC(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate?
The InChIKey is CBMVMLFSIYLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14(19)12(10-5-3-2-4-6-10)17-13(18)11-9-15-7-8-16-11/h2-9,12H,1H3,(H,17,18).
What are the key properties of methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate?
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate has a molecular weight of 271.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate is sourced from PubChem (CID 12580941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).