5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid

C14H16N4O2 — CID 114405561

IUPAC5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(Nc2nc(C(=O)O)ccc2N)cc1
InChIInChI=1S/C14H16N4O2/c1-18(2)10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(19)20/h3-8H,15H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyHNADUGUOCYZIJA-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.17
Rot. Bonds4

About 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid

5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid (PubChem CID 114405561) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
PubChem CID114405561
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(Nc2nc(C(=O)O)ccc2N)cc1
InChIInChI=1S/C14H16N4O2/c1-18(2)10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(19)20/h3-8H,15H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyHNADUGUOCYZIJA-UHFFFAOYSA-N
XLogP2.17
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
CID 114405229
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid (CID 114405561) is 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid is CN(C)c1ccc(Nc2nc(C(=O)O)ccc2N)cc1.
What is the InChIKey of 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid?
The InChIKey is HNADUGUOCYZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(2)10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(19)20/h3-8H,15H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid?
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).