6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid

C16H18N2O3 — CID 106904831

IUPAC6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc([C@@H](C)NCc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-11(12-6-8-14(21-2)9-7-12)17-10-13-4-3-5-15(18-13)16(19)20/h3-9,11,17H,10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyVOAVUDYSMAQHLL-LLVKDONJSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds6

About 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid

6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904831) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904831
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc([C@@H](C)NCc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-11(12-6-8-14(21-2)9-7-12)17-10-13-4-3-5-15(18-13)16(19)20/h3-9,11,17H,10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyVOAVUDYSMAQHLL-LLVKDONJSA-N
XLogP2.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258542

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid (CID 106904831) is 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid is COc1ccc([C@@H](C)NCc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is VOAVUDYSMAQHLL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(12-6-8-14(21-2)9-7-12)17-10-13-4-3-5-15(18-13)16(19)20/h3-9,11,17H,10H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).