methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate

C12H18N4O3 — CID 114059751

IUPACmethyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
SMILESCCCNC(=O)C(C)Nc1cnc(C(=O)OC)cn1
InChIInChI=1S/C12H18N4O3/c1-4-5-13-11(17)8(2)16-10-7-14-9(6-15-10)12(18)19-3/h6-8H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFZQIRRMHPJNUHW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.59
Rot. Bonds6

About methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate

methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate (PubChem CID 114059751) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
PubChem CID114059751
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
SMILESCCCNC(=O)C(C)Nc1cnc(C(=O)OC)cn1
InChIInChI=1S/C12H18N4O3/c1-4-5-13-11(17)8(2)16-10-7-14-9(6-15-10)12(18)19-3/h6-8H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFZQIRRMHPJNUHW-UHFFFAOYSA-N
XLogP0.59
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methoxy-2-pyridinyl)amino]-N-propylpropanamide
CID 106504045
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
2-[(5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 61480003
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
2-[(6-hydrazinylpyrazin-2-yl)amino]-N-propylpropanamide
CID 80897636
methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059853
methyl 5-[2-[ethyl(propyl)amino]ethylamino]pyrazine-2-carboxylate
CID 114132782
methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059816
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate (CID 114059751) is methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate is CCCNC(=O)C(C)Nc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate?
The InChIKey is FZQIRRMHPJNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-5-13-11(17)8(2)16-10-7-14-9(6-15-10)12(18)19-3/h6-8H,4-5H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate?
methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114059751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).