oxalic acid;pyridine-3-carboxamide

C8H8N2O5 — CID 69110411

IUPACoxalic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C6H6N2O.C2H2O4/c7-6(9)5-2-1-3-8-4-5;3-1(4)2(5)6/h1-4H,(H2,7,9);(H,3,4)(H,5,6)
InChIKeyWYFWXYOEYGGTON-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.66
Rot. Bonds1

About oxalic acid;pyridine-3-carboxamide

oxalic acid;pyridine-3-carboxamide (PubChem CID 69110411) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is oxalic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Nameoxalic acid;pyridine-3-carboxamide
PubChem CID69110411
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Nameoxalic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C6H6N2O.C2H2O4/c7-6(9)5-2-1-3-8-4-5;3-1(4)2(5)6/h1-4H,(H2,7,9);(H,3,4)(H,5,6)
InChIKeyWYFWXYOEYGGTON-UHFFFAOYSA-N
XLogP-0.66
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

benzene;pyridine-3-carboxamide
CID 66766032
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
butanedioic acid;pyridine-3-carboxamide
CID 159465776
potassium;ethene;pyridine-3-carboxamide
CID 174767244
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
pyridine-3-carboxamide;1,3-thiazole
CID 174906331
ethyl benzoate;pyridine-3-carboxamide
CID 175250777

Frequently Asked Questions

What is the IUPAC name of oxalic acid;pyridine-3-carboxamide?
The IUPAC name of oxalic acid;pyridine-3-carboxamide (CID 69110411) is oxalic acid;pyridine-3-carboxamide.
What is the SMILES notation for oxalic acid;pyridine-3-carboxamide?
The canonical SMILES for oxalic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;pyridine-3-carboxamide?
The InChIKey is WYFWXYOEYGGTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C2H2O4/c7-6(9)5-2-1-3-8-4-5;3-1(4)2(5)6/h1-4H,(H2,7,9);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;pyridine-3-carboxamide?
oxalic acid;pyridine-3-carboxamide has a molecular weight of 212.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;pyridine-3-carboxamide is sourced from PubChem (CID 69110411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).