2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid

C16H18N2O3 — CID 103604242

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C16H18N2O3/c1-10-8-11(2)18-15(14(10)16(20)21)17-9-13(19)12-6-4-3-5-7-12/h3-8,13,19H,9H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyACIHYQSRQTXXHE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 103604242) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID103604242
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C16H18N2O3/c1-10-8-11(2)18-15(14(10)16(20)21)17-9-13(19)12-6-4-3-5-7-12/h3-8,13,19H,9H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyACIHYQSRQTXXHE-UHFFFAOYSA-N
XLogP2.54
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60678560
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678719
2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 81138787
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 106278036

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid (CID 103604242) is 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ACIHYQSRQTXXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-11(2)18-15(14(10)16(20)21)17-9-13(19)12-6-4-3-5-7-12/h3-8,13,19H,9H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 103604242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).