2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

C11H12ClN3O3 — CID 43568560

IUPAC2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESO=C(CNc1cc(C(=O)O)cc(Cl)n1)NC1CC1
InChIInChI=1S/C11H12ClN3O3/c12-8-3-6(11(17)18)4-9(15-8)13-5-10(16)14-7-1-2-7/h3-4,7H,1-2,5H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyKXUCMYUHGWABRJ-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.12
Rot. Bonds5

About 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 43568560) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID43568560
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESO=C(CNc1cc(C(=O)O)cc(Cl)n1)NC1CC1
InChIInChI=1S/C11H12ClN3O3/c12-8-3-6(11(17)18)4-9(15-8)13-5-10(16)14-7-1-2-7/h3-4,7H,1-2,5H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyKXUCMYUHGWABRJ-UHFFFAOYSA-N
XLogP1.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-(oxan-4-ylmethylamino)pyridine-4-carboxylic acid
CID 63708052
2-chloro-6-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 61404434
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 43568560) is 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is O=C(CNc1cc(C(=O)O)cc(Cl)n1)NC1CC1.
What is the InChIKey of 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is KXUCMYUHGWABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-8-3-6(11(17)18)4-9(15-8)13-5-10(16)14-7-1-2-7/h3-4,7H,1-2,5H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 269.69 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43568560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).