methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate

C13H18ClN3O3 — CID 103337286

IUPACmethyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H18ClN3O3/c1-9(2)8-17(5-4-12(18)20-3)13(19)10-6-15-7-11(14)16-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyQAVGHSWRWKTYMP-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.79
Rot. Bonds6

About methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate

methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate (PubChem CID 103337286) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate
PubChem CID103337286
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Namemethyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H18ClN3O3/c1-9(2)8-17(5-4-12(18)20-3)13(19)10-6-15-7-11(14)16-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyQAVGHSWRWKTYMP-UHFFFAOYSA-N
XLogP1.79
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoate
CID 66376689
6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 106551043
methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate
CID 80625299
6-chloro-N,N-dipropylpyrazine-2-carboxamide
CID 103186958
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 65354313
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
methyl 3-[(2-bromopyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103752528
6-chloro-N-(2-hydroxyethyl)-N-propylpyrazine-2-carboxamide
CID 106551044
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate (CID 103337286) is methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1cncc(Cl)n1.
What is the InChIKey of methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is QAVGHSWRWKTYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-9(2)8-17(5-4-12(18)20-3)13(19)10-6-15-7-11(14)16-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate?
methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 299.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 103337286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).