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

C15H17N3O2 — CID 106904488

IUPAC6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(NCc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-18(2)13-8-6-11(7-9-13)16-10-12-4-3-5-14(17-12)15(19)20/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyHNCRTEUBSSZRLU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds5

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

6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904488) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
PubChem CID106904488
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(NCc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-18(2)13-8-6-11(7-9-13)16-10-12-4-3-5-14(17-12)15(19)20/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyHNCRTEUBSSZRLU-UHFFFAOYSA-N
XLogP2.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
CID 106904433
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106905026
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
CID 114150255
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904796
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid (CID 106904488) is 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid is CN(C)c1ccc(NCc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HNCRTEUBSSZRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(2)13-8-6-11(7-9-13)16-10-12-4-3-5-14(17-12)15(19)20/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid?
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).