4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid

C11H16N2O3 — CID 81225280

IUPAC4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
SMILESCN(C)CCCOc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-13(2)6-3-7-16-10-4-5-12-8-9(10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyVAADKXDLRPGCBB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.11
Rot. Bonds6

About 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid

4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid (PubChem CID 81225280) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
PubChem CID81225280
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
SMILESCN(C)CCCOc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-13(2)6-3-7-16-10-4-5-12-8-9(10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyVAADKXDLRPGCBB-UHFFFAOYSA-N
XLogP1.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-octoxypyridine-3-carboxylic acid
CID 81226157
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzoic acid
CID 63726897
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 81234059
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridine-3-carboxylic acid
CID 81225352
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
4-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 81225610
methyl 4-(3-phenylpropoxy)pyridine-3-carboxylate
CID 132587685

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid (CID 81225280) is 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid is CN(C)CCCOc1ccncc1C(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid?
The InChIKey is VAADKXDLRPGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(2)6-3-7-16-10-4-5-12-8-9(10)11(14)15/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid?
4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81225280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).