2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride

C13H21ClN2O2 — CID 57487394

IUPAC2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride
SMILESCCCN(CCC)c1cc(C(=O)O)cc(C)n1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-6-15(7-5-2)12-9-11(13(16)17)8-10(3)14-12;/h8-9H,4-7H2,1-3H3,(H,16,17);1H
InChIKeyQLIDLEXXVUKGRG-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.14
Rot. Bonds6

About 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride

2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride (PubChem CID 57487394) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride
PubChem CID57487394
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride
SMILESCCCN(CCC)c1cc(C(=O)O)cc(C)n1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-4-6-15(7-5-2)12-9-11(13(16)17)8-10(3)14-12;/h8-9H,4-7H2,1-3H3,(H,16,17);1H
InChIKeyQLIDLEXXVUKGRG-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride (CID 57487394) is 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride is CCCN(CCC)c1cc(C(=O)O)cc(C)n1.Cl.
What is the InChIKey of 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride?
The InChIKey is QLIDLEXXVUKGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-4-6-15(7-5-2)12-9-11(13(16)17)8-10(3)14-12;/h8-9H,4-7H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride?
2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-methylpyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 57487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).