4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid

C13H20N2O4 — CID 114171477

IUPAC4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCCOCCO)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H20N2O4/c1-9-8-11(12(13(17)18)10(2)15-9)14-4-3-6-19-7-5-16/h8,16H,3-7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyOUFWOJZIGOJUBQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.21
Rot. Bonds8

About 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid

4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 114171477) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID114171477
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCCOCCO)c(C(=O)O)c(C)n1
InChIInChI=1S/C13H20N2O4/c1-9-8-11(12(13(17)18)10(2)15-9)14-4-3-6-19-7-5-16/h8,16H,3-7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyOUFWOJZIGOJUBQ-UHFFFAOYSA-N
XLogP1.21
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-{[4-(ethoxycarbonyl)phenyl]amino}-2,6-dimethylnicotinate hydrochloride
CID 2868863
2,4,6-trimethylpyridine-3-carboxylic Acid
CID 2753085
Ethyl 4-{[4-(ethoxycarbonyl)phenyl]amino}-2,6-dimethylpyridine-3-carboxylate
CID 756086
Ethyl 2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboxylate
CID 2836871
6-(Aminomethyl)-2-methylpyridine-3-carboxylic acid dihydrochloride
CID 71757623
6-({[(Tert-butoxy)carbonyl]amino}methyl)-2-methylpyridine-3-carboxylic acid
CID 71757747
6-(Aminomethyl)-2-ethylpyridine-3-carboxylic acid dihydrochloride
CID 71758671
4-[3-(Ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]-1-phenylpiperazin-1-ium
CID 3965250
4-Amino-2,6-dimethylnicotinic acid
CID 3665362
Ethyl 4-amino-2,6-bis(trifluoromethyl)-3-pyridinecarboxylate
CID 13882886
Ethyl 4-(diethylamino)-2,6-bis(trifluoromethyl)-3-pyridinecarboxylate
CID 13882887
2-(Difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
CID 57291717

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 114171477) is 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(NCCCOCCO)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is OUFWOJZIGOJUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-8-11(12(13(17)18)10(2)15-9)14-4-3-6-19-7-5-16/h8,16H,3-7H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 114171477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).