4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid

C13H20N2O3 — CID 81244374

IUPAC4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCOCCN(CC)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-15(6-7-18-5-2)12-8-10(3)14-9-11(12)13(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyCEXMQZLDVPEUAJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.95
Rot. Bonds7

About 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid

4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244374) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244374
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCOCCN(CC)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-15(6-7-18-5-2)12-8-10(3)14-9-11(12)13(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyCEXMQZLDVPEUAJ-UHFFFAOYSA-N
XLogP1.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.95
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

4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid
CID 82960320
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine
CID 82952312
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid (CID 81244374) is 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid is CCOCCN(CC)c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is CEXMQZLDVPEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(6-7-18-5-2)12-8-10(3)14-9-11(12)13(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).