1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide

C10H8N4O5 — CID 19738379

IUPAC1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C1NC(=O)C(=O)C(=O)N1
InChIInChI=1S/C6H6N2O.C4H2N2O4/c7-6(9)5-2-1-3-8-4-5;7-1-2(8)5-4(10)6-3(1)9/h1-4H,(H2,7,9);(H2,5,6,8,9,10)
InChIKeyARHJDGNRDRAXRM-UHFFFAOYSA-N
MW264.20 g/mol
LogP-1.90
Rot. Bonds1

About 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide

1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide (PubChem CID 19738379) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide.

Molecular Properties

Compound Name1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide
PubChem CID19738379
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C1NC(=O)C(=O)C(=O)N1
InChIInChI=1S/C6H6N2O.C4H2N2O4/c7-6(9)5-2-1-3-8-4-5;7-1-2(8)5-4(10)6-3(1)9/h1-4H,(H2,7,9);(H2,5,6,8,9,10)
InChIKeyARHJDGNRDRAXRM-UHFFFAOYSA-N
XLogP-1.90
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
oxalic acid;pyridine-3-carboxamide
CID 69110411
potassium;ethene;pyridine-3-carboxamide
CID 174767244
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
butanedioic acid;pyridine-3-carboxamide
CID 159465776
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
6-amino-1H-pyrimidin-2-one;pyridine-3-carboxamide
CID 129308158
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide?
The IUPAC name of 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide (CID 19738379) is 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide.
What is the SMILES notation for 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide?
The canonical SMILES for 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C1NC(=O)C(=O)C(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide?
The InChIKey is ARHJDGNRDRAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C4H2N2O4/c7-6(9)5-2-1-3-8-4-5;7-1-2(8)5-4(10)6-3(1)9/h1-4H,(H2,7,9);(H2,5,6,8,9,10).
What are the key properties of 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide?
1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide has a molecular weight of 264.20 g/mol, XLogP of -1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4,5,6-tetrone;pyridine-3-carboxamide is sourced from PubChem (CID 19738379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).