2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

C12H18N2O3 — CID 82951662

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)14(6-7-17-3)11-8-10(12(15)16)4-5-13-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyJRDWBZLZOHKKHR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 82951662) 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-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID82951662
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C12H18N2O3/c1-9(2)14(6-7-17-3)11-8-10(12(15)16)4-5-13-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyJRDWBZLZOHKKHR-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

4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82948148
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
N-(2-methoxyethyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]pyridin-2-amine
CID 82951129
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
CID 59303618
CID 59303618
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
N-(2-methoxyethyl)-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 82952306
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (CID 82951662) is 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is COCCN(c1cc(C(=O)O)ccn1)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is JRDWBZLZOHKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)14(6-7-17-3)11-8-10(12(15)16)4-5-13-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-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-4-carboxylic acid is sourced from PubChem (CID 82951662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).