methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate

C10H12ClN3O3 — CID 107371904

IUPACmethyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O3/c1-10(2,9(16)17-3)14-8(15)6-4-13-7(11)5-12-6/h4-5H,1-3H3,(H,14,15)
InChIKeyGXDBIFWELKKVCN-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate

methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate (PubChem CID 107371904) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
PubChem CID107371904
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Namemethyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O3/c1-10(2,9(16)17-3)14-8(15)6-4-13-7(11)5-12-6/h4-5H,1-3H3,(H,14,15)
InChIKeyGXDBIFWELKKVCN-UHFFFAOYSA-N
XLogP0.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 107371615
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate
CID 61258651
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
5-chloropyrazine-2-carboxylate
CID 19037960
2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 61263724
N-tert-butyl-5-chloropyrazine-2-carbothioamide
CID 11031668
5-chloro-N-(5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107585014

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate (CID 107371904) is methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate?
The InChIKey is GXDBIFWELKKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-10(2,9(16)17-3)14-8(15)6-4-13-7(11)5-12-6/h4-5H,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate has a molecular weight of 257.68 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 107371904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).