3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid

C14H22N2O3 — CID 115505910

IUPAC3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
SMILESCC(C)N(CCOc1cnccc1C(=O)O)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-13-9-15-6-5-12(13)14(17)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeySDCJZZPAVUINAL-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.28
Rot. Bonds7

About 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid

3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid (PubChem CID 115505910) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
PubChem CID115505910
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
SMILESCC(C)N(CCOc1cnccc1C(=O)O)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-13-9-15-6-5-12(13)14(17)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeySDCJZZPAVUINAL-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

3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
CID 115505662
3-(3-cyano-3-methylbutoxy)pyridine-4-carboxylic acid
CID 81446577
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
CID 81225280
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid (CID 115505910) is 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid is CC(C)N(CCOc1cnccc1C(=O)O)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
The InChIKey is SDCJZZPAVUINAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-13-9-15-6-5-12(13)14(17)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid?
3-[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 3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 115505910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).