methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate

C12H19N3O3 — CID 66458303

IUPACmethyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
SMILESCCCC(COC)Nc1cncc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-4-5-9(8-17-2)14-11-7-13-6-10(15-11)12(16)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyRZQVKOULWJPKHN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.49
Rot. Bonds7

About methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate

methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate (PubChem CID 66458303) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
PubChem CID66458303
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
SMILESCCCC(COC)Nc1cncc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O3/c1-4-5-9(8-17-2)14-11-7-13-6-10(15-11)12(16)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyRZQVKOULWJPKHN-UHFFFAOYSA-N
XLogP1.49
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
6-(hexan-3-ylamino)pyrazine-2-carboxylic acid
CID 66449518
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931
methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
CID 106350395
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80572796
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
CID 114151042
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate (CID 66458303) is methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate is CCCC(COC)Nc1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate?
The InChIKey is RZQVKOULWJPKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-9(8-17-2)14-11-7-13-6-10(15-11)12(16)18-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate?
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66458303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).