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

C12H18N2O3 — CID 82952199

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCOCCN(c1ncccc1C(=O)O)C(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)14(7-8-17-3)11-10(12(15)16)5-4-6-13-11/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyPGTDFDKLCVOTAZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds6

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

2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 82952199) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID82952199
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCOCCN(c1ncccc1C(=O)O)C(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)14(7-8-17-3)11-10(12(15)16)5-4-6-13-11/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyPGTDFDKLCVOTAZ-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid (CID 82952199) is 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid is COCCN(c1ncccc1C(=O)O)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is PGTDFDKLCVOTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)14(7-8-17-3)11-10(12(15)16)5-4-6-13-11/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 82952199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).