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

C14H22N2O3 — CID 115505423

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
SMILESCC(C)N(CCOc1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-12-5-6-15-13(9-12)14(17)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeyZUDICWVCQVVUFV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.28
Rot. Bonds7

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

4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid (PubChem CID 115505423) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
PubChem CID115505423
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
SMILESCC(C)N(CCOc1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-12-5-6-15-13(9-12)14(17)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeyZUDICWVCQVVUFV-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-decoxypyridine-2-carboxylic acid
CID 152529644
4-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66234944
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid
CID 115505429
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid (CID 115505423) is 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid is CC(C)N(CCOc1ccnc(C(=O)O)c1)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid?
The InChIKey is ZUDICWVCQVVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(11(3)4)7-8-19-12-5-6-15-13(9-12)14(17)18/h5-6,9-11H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid?
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-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 4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 115505423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).