3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid

C15H24N2O3 — CID 63075429

IUPAC3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC(CC)N(CCOC)Cc1cccnc1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-4-13(5-2)17(9-10-20-3)11-12-7-6-8-16-14(12)15(18)19/h6-8,13H,4-5,9-11H2,1-3H3,(H,18,19)
InChIKeyRNMOHYPCSBNPLP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds9

About 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid

3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63075429) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63075429
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC(CC)N(CCOC)Cc1cccnc1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-4-13(5-2)17(9-10-20-3)11-12-7-6-8-16-14(12)15(18)19/h6-8,13H,4-5,9-11H2,1-3H3,(H,18,19)
InChIKeyRNMOHYPCSBNPLP-UHFFFAOYSA-N
XLogP2.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62702545
5-fluoro-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 63292694
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
3-(2-methoxyethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63098781
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 107113299
3-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 55128366
3-[(4-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63073137
N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 76912160
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid (CID 63075429) is 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid is CCC(CC)N(CCOC)Cc1cccnc1C(=O)O.
What is the InChIKey of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RNMOHYPCSBNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-13(5-2)17(9-10-20-3)11-12-7-6-8-16-14(12)15(18)19/h6-8,13H,4-5,9-11H2,1-3H3,(H,18,19).
What are the key properties of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63075429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).