3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide

C12H20N6O6 — CID 53389123

IUPAC3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
SMILESNC(=O)c1nc(NC[C@H](O)CO)c(C(N)=O)nc1NC[C@H](O)CO
InChIInChI=1S/C12H20N6O6/c13-9(23)7-11(15-1-5(21)3-19)17-8(10(14)24)12(18-7)16-2-6(22)4-20/h5-6,19-22H,1-4H2,(H2,13,23)(H2,14,24)(H,15,17)(H,16,18)/t5-,6-/m0/s1
InChIKeyWKMNVTBSWYBZOU-WDSKDSINSA-N
MW344.33 g/mol
LogP-3.80
Rot. Bonds10

About 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide

3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide (PubChem CID 53389123) has the molecular formula C12H20N6O6 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
PubChem CID53389123
Molecular FormulaC12H20N6O6
Molecular Weight344.33 g/mol
Exact Mass344.14
IUPAC Name3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
SMILESNC(=O)c1nc(NC[C@H](O)CO)c(C(N)=O)nc1NC[C@H](O)CO
InChIInChI=1S/C12H20N6O6/c13-9(23)7-11(15-1-5(21)3-19)17-8(10(14)24)12(18-7)16-2-6(22)4-20/h5-6,19-22H,1-4H2,(H2,13,23)(H2,14,24)(H,15,17)(H,16,18)/t5-,6-/m0/s1
InChIKeyWKMNVTBSWYBZOU-WDSKDSINSA-N
XLogP-3.80
TPSA216.94 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 5-3.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R)-2-[[5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]-3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 53386760
2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
CID 53389124
3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
CID 24852796
1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((2-hydroxyethyl)amino)-
CID 3066707
2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
CID 53386759
3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide
CID 53389119
(2R)-2-[[5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]-3,6-bis(propylamino)pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 53389122
3-amino-6-chloro-N-(diaminomethylidene)-5-[3-hydroxypropyl(methyl)amino]pyrazine-2-carboxamide
CID 177376667
3,6-Bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid
CID 11508473
3,6-Bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide
CID 58462499
3,6-Bis[3-(2-methoxyethoxy)propylamino]pyrazine-2,5-dicarboxamide
CID 58462516
3-[[3,6-Diamino-5-(2-methoxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoic acid
CID 67608572

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
The IUPAC name of 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide (CID 53389123) is 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide is NC(=O)c1nc(NC[C@H](O)CO)c(C(N)=O)nc1NC[C@H](O)CO.
What is the InChIKey of 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
The InChIKey is WKMNVTBSWYBZOU-WDSKDSINSA-N. The full InChI is InChI=1S/C12H20N6O6/c13-9(23)7-11(15-1-5(21)3-19)17-8(10(14)24)12(18-7)16-2-6(22)4-20/h5-6,19-22H,1-4H2,(H2,13,23)(H2,14,24)(H,15,17)(H,16,18)/t5-,6-/m0/s1.
What are the key properties of 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide has a molecular weight of 344.33 g/mol, XLogP of -3.80, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 53389123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).