6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid

C17H19N3O3 — CID 3013286

IUPAC6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19N3O3/c1-12-2-7-15(17(21)22)16(18-12)19-13-3-5-14(6-4-13)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,18,19)(H,21,22)
InChIKeyBRVCHYGGLLZJOC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.67
Rot. Bonds4

About 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid

6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid (PubChem CID 3013286) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid
PubChem CID3013286
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19N3O3/c1-12-2-7-15(17(21)22)16(18-12)19-13-3-5-14(6-4-13)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,18,19)(H,21,22)
InChIKeyBRVCHYGGLLZJOC-UHFFFAOYSA-N
XLogP2.67
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid (CID 3013286) is 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid?
The InChIKey is BRVCHYGGLLZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-2-7-15(17(21)22)16(18-12)19-13-3-5-14(6-4-13)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid?
6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 3013286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).