5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid

C15H15N3O3 — CID 3077601

IUPAC5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cccc(Nc2nc(C)c(C(=O)O)cc2C(N)=O)c1
InChIInChI=1S/C15H15N3O3/c1-8-4-3-5-10(6-8)18-14-12(13(16)19)7-11(15(20)21)9(2)17-14/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyYGRYLSIBZKKADT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.24
Rot. Bonds4

About 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid

5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid (PubChem CID 3077601) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
PubChem CID3077601
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cccc(Nc2nc(C)c(C(=O)O)cc2C(N)=O)c1
InChIInChI=1S/C15H15N3O3/c1-8-4-3-5-10(6-8)18-14-12(13(16)19)7-11(15(20)21)9(2)17-14/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyYGRYLSIBZKKADT-UHFFFAOYSA-N
XLogP2.24
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid (CID 3077601) is 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid is Cc1cccc(Nc2nc(C)c(C(=O)O)cc2C(N)=O)c1.
What is the InChIKey of 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is YGRYLSIBZKKADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-4-3-5-10(6-8)18-14-12(13(16)19)7-11(15(20)21)9(2)17-14/h3-7H,1-2H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid?
5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-2-methyl-6-(3-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 3077601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).