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

C18H32N6O10 — CID 53386759

IUPAC2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
SMILESO=C(NCC(O)CO)c1nc(NC[C@@H](O)CO)c(C(=O)NCC(O)CO)nc1NC[C@@H](O)CO
InChIInChI=1S/C18H32N6O10/c25-5-9(29)1-19-15-13(17(33)21-3-11(31)7-27)24-16(20-2-10(30)6-26)14(23-15)18(34)22-4-12(32)8-28/h9-12,25-32H,1-8H2,(H,19,23)(H,20,24)(H,21,33)(H,22,34)/t9-,10-,11?,12?/m1/s1
InChIKeyBKCBIJFNVOBEKL-QYNFOATHSA-N
MW492.49 g/mol
LogP-5.83
Rot. Bonds16

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

2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide (PubChem CID 53386759) has the molecular formula C18H32N6O10 and a molecular weight of 492.49 g/mol. Its IUPAC name is 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
PubChem CID53386759
Molecular FormulaC18H32N6O10
Molecular Weight492.49 g/mol
Exact Mass492.22
IUPAC Name2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
SMILESO=C(NCC(O)CO)c1nc(NC[C@@H](O)CO)c(C(=O)NCC(O)CO)nc1NC[C@@H](O)CO
InChIInChI=1S/C18H32N6O10/c25-5-9(29)1-19-15-13(17(33)21-3-11(31)7-27)24-16(20-2-10(30)6-26)14(23-15)18(34)22-4-12(32)8-28/h9-12,25-32H,1-8H2,(H,19,23)(H,20,24)(H,21,33)(H,22,34)/t9-,10-,11?,12?/m1/s1
InChIKeyBKCBIJFNVOBEKL-QYNFOATHSA-N
XLogP-5.83
TPSA269.88 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500492.49
LogP ≤ 5-5.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide (CID 53386759) is 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide is O=C(NCC(O)CO)c1nc(NC[C@@H](O)CO)c(C(=O)NCC(O)CO)nc1NC[C@@H](O)CO.
What is the InChIKey of 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
The InChIKey is BKCBIJFNVOBEKL-QYNFOATHSA-N. The full InChI is InChI=1S/C18H32N6O10/c25-5-9(29)1-19-15-13(17(33)21-3-11(31)7-27)24-16(20-2-10(30)6-26)14(23-15)18(34)22-4-12(32)8-28/h9-12,25-32H,1-8H2,(H,19,23)(H,20,24)(H,21,33)(H,22,34)/t9-,10-,11?,12?/m1/s1.
What are the key properties of 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide?
2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide has a molecular weight of 492.49 g/mol, XLogP of -5.83, 16 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2R)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 53386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).