3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid

C11H16ClN3O2 — CID 107062922

IUPAC3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
SMILESCC(CN(C)C)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-7(6-15(2)3)14-10-9(12)8(11(16)17)4-5-13-10/h4-5,7H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyJRNJKUQAPCFMOV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.80
Rot. Bonds5

About 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid

3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid (PubChem CID 107062922) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
PubChem CID107062922
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
SMILESCC(CN(C)C)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-7(6-15(2)3)14-10-9(12)8(11(16)17)4-5-13-10/h4-5,7H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyJRNJKUQAPCFMOV-UHFFFAOYSA-N
XLogP1.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 107061996
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid (CID 107062922) is 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid is CC(CN(C)C)Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
The InChIKey is JRNJKUQAPCFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(6-15(2)3)14-10-9(12)8(11(16)17)4-5-13-10/h4-5,7H,6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid has a molecular weight of 257.72 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).