acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid

C37H51N13O10 — CID 160863127

IUPACacetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid
SMILESCC(=O)O.CC(=O)O.CN.CN.NC(=O)c1ccccn1.NC(=O)c1cnccn1.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[H][2H].[H][2H].c1ccncc1.c1cnccn1
InChIInChI=1S/C6H6N2O.C6H5NO2.C5H5N3O.C5H4N2O2.C5H5N.C4H4N2.2C2H4O2.2CH5N.2H2/c7-6(9)5-3-1-2-4-8-5;8-6(9)5-3-1-2-4-7-5;6-5(9)4-3-7-1-2-8-4;8-5(9)4-3-6-1-2-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2(3)4;2*1-2;;/h1-4H,(H2,7,9);1-4H,(H,8,9);1-3H,(H2,6,9);1-3H,(H,8,9);1-5H;1-4H;2*1H3,(H,3,4);2*2H2,1H3;2*1H/i;;;;;;;;;;2*1+1
InChIKeyAONINPRLBKHPKX-KPVLRUHTSA-N
MW839.91 g/mol
LogP2.09
Rot. Bonds4

About acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid

acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid (PubChem CID 160863127) has the molecular formula C37H51N13O10 and a molecular weight of 839.91 g/mol. Its IUPAC name is acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid
PubChem CID160863127
Molecular FormulaC37H51N13O10
Molecular Weight839.91 g/mol
Exact Mass839.40
IUPAC Nameacetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid
SMILESCC(=O)O.CC(=O)O.CN.CN.NC(=O)c1ccccn1.NC(=O)c1cnccn1.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[H][2H].[H][2H].c1ccncc1.c1cnccn1
InChIInChI=1S/C6H6N2O.C6H5NO2.C5H5N3O.C5H4N2O2.C5H5N.C4H4N2.2C2H4O2.2CH5N.2H2/c7-6(9)5-3-1-2-4-8-5;8-6(9)5-3-1-2-4-7-5;6-5(9)4-3-7-1-2-8-4;8-5(9)4-3-6-1-2-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2(3)4;2*1-2;;/h1-4H,(H2,7,9);1-4H,(H,8,9);1-3H,(H2,6,9);1-3H,(H,8,9);1-5H;1-4H;2*1H3,(H,3,4);2*2H2,1H3;2*1H/i;;;;;;;;;;2*1+1
InChIKeyAONINPRLBKHPKX-KPVLRUHTSA-N
XLogP2.09
TPSA403.43 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.91
LogP ≤ 52.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

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Related Compounds

Vanadium picolinate
CID 129717522
3-Amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
CID 140591031
3-Amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
CID 140591032
methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720
Calcium-dipicolinat-sesquihydrat
CID 129655071
Chromium chromium picolinate
CID 129712025
Chromium picolinate chromium (IV)
CID 129712041
Calcium chromium picolinate iron
CID 129734825
Copper tetrapyridinate
CID 129759812
Molybdenum;tetrakis(pyridine-2-carboxylic acid)
CID 129777856
Chromium picolinate lead
CID 129858701
Monoaminopyridinate yttrium
CID 129858886

Frequently Asked Questions

What is the IUPAC name of acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid?
The IUPAC name of acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid (CID 160863127) is acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid.
What is the SMILES notation for acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid?
The canonical SMILES for acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid is CC(=O)O.CC(=O)O.CN.CN.NC(=O)c1ccccn1.NC(=O)c1cnccn1.O=C(O)c1ccccn1.O=C(O)c1cnccn1.[H][2H].[H][2H].c1ccncc1.c1cnccn1.
What is the InChIKey of acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid?
The InChIKey is AONINPRLBKHPKX-KPVLRUHTSA-N. The full InChI is InChI=1S/C6H6N2O.C6H5NO2.C5H5N3O.C5H4N2O2.C5H5N.C4H4N2.2C2H4O2.2CH5N.2H2/c7-6(9)5-3-1-2-4-8-5;8-6(9)5-3-1-2-4-7-5;6-5(9)4-3-7-1-2-8-4;8-5(9)4-3-6-1-2-7-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2(3)4;2*1-2;;/h1-4H,(H2,7,9);1-4H,(H,8,9);1-3H,(H2,6,9);1-3H,(H,8,9);1-5H;1-4H;2*1H3,(H,3,4);2*2H2,1H3;2*1H/i;;;;;;;;;;2*1+1.
What are the key properties of acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid?
acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid has a molecular weight of 839.91 g/mol, XLogP of 2.09, 4 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;deuterium monohydride;methanamine;pyrazine;pyrazine-2-carboxamide;pyrazine-2-carboxylic acid;pyridine;pyridine-2-carboxamide;pyridine-2-carboxylic acid is sourced from PubChem (CID 160863127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).