3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid

C13H19N3O3 — CID 23268457

IUPAC3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid
SMILESCCN(CC)c1c(C)nc(C)c(C(N)=O)c1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-5-16(6-2)11-8(4)15-7(3)9(12(14)17)10(11)13(18)19/h5-6H2,1-4H3,(H2,14,17)(H,18,19)
InChIKeyHRRBTZZVVWPBQV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds5

About 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid

3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid (PubChem CID 23268457) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid
PubChem CID23268457
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid
SMILESCCN(CC)c1c(C)nc(C)c(C(N)=O)c1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-5-16(6-2)11-8(4)15-7(3)9(12(14)17)10(11)13(18)19/h5-6H2,1-4H3,(H2,14,17)(H,18,19)
InChIKeyHRRBTZZVVWPBQV-UHFFFAOYSA-N
XLogP1.34
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid?
The IUPAC name of 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid (CID 23268457) is 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid?
The canonical SMILES for 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid is CCN(CC)c1c(C)nc(C)c(C(N)=O)c1C(=O)O.
What is the InChIKey of 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid?
The InChIKey is HRRBTZZVVWPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-16(6-2)11-8(4)15-7(3)9(12(14)17)10(11)13(18)19/h5-6H2,1-4H3,(H2,14,17)(H,18,19).
What are the key properties of 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid?
3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-5-(diethylamino)-2,6-dimethylpyridine-4-carboxylic acid is sourced from PubChem (CID 23268457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).