6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid

C17H20N2O3 — CID 91762891

IUPAC6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(C(C)N(C)Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-6-4-8-15(10-13)22-3)19(2)11-14-7-5-9-16(18-14)17(20)21/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyPQBJGYOJMVOEIN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.98
Rot. Bonds6

About 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid

6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 91762891) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID91762891
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(C(C)N(C)Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-6-4-8-15(10-13)22-3)19(2)11-14-7-5-9-16(18-14)17(20)21/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyPQBJGYOJMVOEIN-UHFFFAOYSA-N
XLogP2.98
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 135099317
6-[(3-methoxyphenyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903815
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
6-(2-hydroxypropyl)pyridine-2-carboxylic acid
CID 122637031

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid (CID 91762891) is 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid is COc1cccc(C(C)N(C)Cc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PQBJGYOJMVOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(13-6-4-8-15(10-13)22-3)19(2)11-14-7-5-9-16(18-14)17(20)21/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid?
6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 91762891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).