6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid

C16H19N3O2 — CID 122057521

IUPAC6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(C)c1ccccc1CN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H19N3O2/c1-18(2)14-9-5-4-7-12(14)11-19(3)15-10-6-8-13(17-15)16(20)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyLXIWADNDAWPNEM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds5

About 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid

6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 122057521) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID122057521
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(C)c1ccccc1CN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H19N3O2/c1-18(2)14-9-5-4-7-12(14)11-19(3)15-10-6-8-13(17-15)16(20)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyLXIWADNDAWPNEM-UHFFFAOYSA-N
XLogP2.48
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
CID 81055123
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
CID 155936920
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
CID 5263799

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid (CID 122057521) is 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid is CN(C)c1ccccc1CN(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is LXIWADNDAWPNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)14-9-5-4-7-12(14)11-19(3)15-10-6-8-13(17-15)16(20)21/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid?
6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).