2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid

C11H16ClN3O2 — CID 43166600

IUPAC2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
SMILESCN(C)CCCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-15(2)5-3-4-13-10-7-8(11(16)17)6-9(12)14-10/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyUQRBTXKOEKVLQA-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.80
Rot. Bonds6

About 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid

2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid (PubChem CID 43166600) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
PubChem CID43166600
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
SMILESCN(C)CCCNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-15(2)5-3-4-13-10-7-8(11(16)17)6-9(12)14-10/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyUQRBTXKOEKVLQA-UHFFFAOYSA-N
XLogP1.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 114139075
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 106035062
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid (CID 43166600) is 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid is CN(C)CCCNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid?
The InChIKey is UQRBTXKOEKVLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15(2)5-3-4-13-10-7-8(11(16)17)6-9(12)14-10/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid?
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid has a molecular weight of 257.72 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43166600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).