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

C14H22N2O3 — CID 115505427

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
SMILESCC(C)N(CCOc1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-13-9-12(14(17)18)5-6-15-13/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeyNMVXXRSGNVFKFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.28
Rot. Bonds7

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

2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid (PubChem CID 115505427) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
PubChem CID115505427
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
SMILESCC(C)N(CCOc1cc(C(=O)O)ccn1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-13-9-12(14(17)18)5-6-15-13/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeyNMVXXRSGNVFKFG-UHFFFAOYSA-N
XLogP2.28
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 115505515
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505644
5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
CID 115505424
2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid
CID 143633973
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
CID 28996595
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid (CID 115505427) is 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid is CC(C)N(CCOc1cc(C(=O)O)ccn1)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
The InChIKey is NMVXXRSGNVFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-13-9-12(14(17)18)5-6-15-13/h5-6,9-11H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 115505427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).