3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc

C9H13N2O3Zn- — CID 172592774

IUPAC3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc
SMILESCc1cc(C(=O)O)c(N)c(=O)n1C.[CH3-].[Zn]
InChIInChI=1S/C8H10N2O3.CH3.Zn/c1-4-3-5(8(12)13)6(9)7(11)10(4)2;;/h3H,9H2,1-2H3,(H,12,13);1H3;/q;-1;
InChIKeyPFVYBSPOHZSFLE-UHFFFAOYSA-N
MW262.60 g/mol
LogP0.42
Rot. Bonds1

About 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc

3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc (PubChem CID 172592774) has the molecular formula C9H13N2O3Zn- and a molecular weight of 262.60 g/mol. Its IUPAC name is 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc.

Molecular Properties

Compound Name3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc
PubChem CID172592774
Molecular FormulaC9H13N2O3Zn-
Molecular Weight262.60 g/mol
Exact Mass261.02
IUPAC Name3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc
SMILESCc1cc(C(=O)O)c(N)c(=O)n1C.[CH3-].[Zn]
InChIInChI=1S/C8H10N2O3.CH3.Zn/c1-4-3-5(8(12)13)6(9)7(11)10(4)2;;/h3H,9H2,1-2H3,(H,12,13);1H3;/q;-1;
InChIKeyPFVYBSPOHZSFLE-UHFFFAOYSA-N
XLogP0.42
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.60
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2-Dihydro-1,6-dimethyl-2-oxo-4-pyridinecarboxylic acid
CID 68432029
3-(Aminomethyl)-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 298637
1,2,5-Trimethyl-6-oxopyridine-3-carboxylic acid
CID 20583083
1,2,4-Trimethyl-6-oxopyridine-3-carboxylic acid
CID 61727037
1-Methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 66844870
3-amino-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 82413442
2-(dipropylcarbamoyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 129054408
5-Amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid
CID 130268268
Ethyl 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylate
CID 172592769
3-Amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 172592775
3-(Aminomethyl)-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;hydrochloride
CID 24192362
1-(2-Amino-2-oxoethyl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 61726443

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc?
The IUPAC name of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc (CID 172592774) is 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc.
What is the SMILES notation for 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc?
The canonical SMILES for 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc is Cc1cc(C(=O)O)c(N)c(=O)n1C.[CH3-].[Zn].
What is the InChIKey of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc?
The InChIKey is PFVYBSPOHZSFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.CH3.Zn/c1-4-3-5(8(12)13)6(9)7(11)10(4)2;;/h3H,9H2,1-2H3,(H,12,13);1H3;/q;-1;.
What are the key properties of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc?
3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc has a molecular weight of 262.60 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;zinc is sourced from PubChem (CID 172592774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).