2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid

C12H18N2O3 — CID 63690234

IUPAC2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCOCCN(CC)c1ncccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-14(8-9-17-4-2)11-10(12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeySILOYPNMRHDMSZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds7

About 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid

2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid (PubChem CID 63690234) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
PubChem CID63690234
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCOCCN(CC)c1ncccc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-14(8-9-17-4-2)11-10(12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeySILOYPNMRHDMSZ-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 114067329
[2-[bis(2-ethoxyethyl)amino]-3-pyridinyl]methanol
CID 82960882
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid
CID 82960320

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid (CID 63690234) is 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid is CCOCCN(CC)c1ncccc1C(=O)O.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is SILOYPNMRHDMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-14(8-9-17-4-2)11-10(12(15)16)6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63690234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).