2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide

C12H18N4O6 — CID 66736701

IUPAC2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
SMILESNC(=O)c1cnc(C(=O)N(CC(O)CO)CC(O)CO)cn1
InChIInChI=1S/C12H18N4O6/c13-11(21)9-1-15-10(2-14-9)12(22)16(3-7(19)5-17)4-8(20)6-18/h1-2,7-8,17-20H,3-6H2,(H2,13,21)
InChIKeyFHJOOPPVARQDRY-UHFFFAOYSA-N
MW314.30 g/mol
LogP-3.28
Rot. Bonds8

About 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide

2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide (PubChem CID 66736701) has the molecular formula C12H18N4O6 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
PubChem CID66736701
Molecular FormulaC12H18N4O6
Molecular Weight314.30 g/mol
Exact Mass314.12
IUPAC Name2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
SMILESNC(=O)c1cnc(C(=O)N(CC(O)CO)CC(O)CO)cn1
InChIInChI=1S/C12H18N4O6/c13-11(21)9-1-15-10(2-14-9)12(22)16(3-7(19)5-17)4-8(20)6-18/h1-2,7-8,17-20H,3-6H2,(H2,13,21)
InChIKeyFHJOOPPVARQDRY-UHFFFAOYSA-N
XLogP-3.28
TPSA170.10 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-3.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[(5-carbamoylpyrazine-2-carbonyl)-[(1R)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxypropanoic acid
CID 67436843
benzyl (2R)-2-[(5-carbamoylpyrazine-2-carbonyl)-[(2R)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-hydroxypropanoate
CID 67439469
5-hydrazinyl-N,N-bis(2-hydroxyethyl)pyrazine-2-carboxamide
CID 107377624
5-(methylamino)-N,N-bis(2-methylpropyl)pyrazine-2-carboxamide
CID 107374736
2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide
CID 22457886
5-ethylpyrazine-2-carboxamide;molecular hydrogen
CID 176985944
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
3-amino-1,2,4-triazine-6-carboxamide
CID 175838852
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224
3-N,5-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N,5-N-dimethylbenzene-1,3,5-tricarboxamide
CID 12940863
5-(3-oxobutyl)pyrazine-2-carboxamide
CID 69292472

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide (CID 66736701) is 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide is NC(=O)c1cnc(C(=O)N(CC(O)CO)CC(O)CO)cn1.
What is the InChIKey of 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
The InChIKey is FHJOOPPVARQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O6/c13-11(21)9-1-15-10(2-14-9)12(22)16(3-7(19)5-17)4-8(20)6-18/h1-2,7-8,17-20H,3-6H2,(H2,13,21).
What are the key properties of 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide?
2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide has a molecular weight of 314.30 g/mol, XLogP of -3.28, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 66736701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).