2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid

C17H20N2O2 — CID 146135062

IUPAC2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(CN(C)Cc2ncccc2C(=O)O)c1
InChIInChI=1S/C17H20N2O2/c1-12-6-7-13(2)14(9-12)10-19(3)11-16-15(17(20)21)5-4-8-18-16/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyHQNXPHRNTZJHMV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.03
Rot. Bonds5

About 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid

2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 146135062) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
PubChem CID146135062
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(CN(C)Cc2ncccc2C(=O)O)c1
InChIInChI=1S/C17H20N2O2/c1-12-6-7-13(2)14(9-12)10-19(3)11-16-15(17(20)21)5-4-8-18-16/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyHQNXPHRNTZJHMV-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 114198283
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198841
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 43473283
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid (CID 146135062) is 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid is Cc1ccc(C)c(CN(C)Cc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is HQNXPHRNTZJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-6-7-13(2)14(9-12)10-19(3)11-16-15(17(20)21)5-4-8-18-16/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid?
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146135062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).