5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid

C11H14ClN3O3 — CID 54980980

IUPAC5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
SMILESCCNC(=O)CN(C)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-3-13-9(16)6-15(2)10-8(12)4-7(5-14-10)11(17)18/h4-5H,3,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyGECPDGVOFUMEEK-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.01
Rot. Bonds5

About 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid

5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid (PubChem CID 54980980) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
PubChem CID54980980
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
SMILESCCNC(=O)CN(C)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-3-13-9(16)6-15(2)10-8(12)4-7(5-14-10)11(17)18/h4-5H,3,6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyGECPDGVOFUMEEK-UHFFFAOYSA-N
XLogP1.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid (CID 54980980) is 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid is CCNC(=O)CN(C)c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid?
The InChIKey is GECPDGVOFUMEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-13-9(16)6-15(2)10-8(12)4-7(5-14-10)11(17)18/h4-5H,3,6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 54980980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).