5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid

C13H18ClN3O3 — CID 114919354

IUPAC5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O3/c1-4-17(5-2)12(18)8-16(3)11-6-9(13(19)20)10(14)7-15-11/h6-7H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyUTRDRCSXJNOOLH-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.74
Rot. Bonds6

About 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid

5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid (PubChem CID 114919354) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
PubChem CID114919354
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O3/c1-4-17(5-2)12(18)8-16(3)11-6-9(13(19)20)10(14)7-15-11/h6-7H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyUTRDRCSXJNOOLH-UHFFFAOYSA-N
XLogP1.74
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114919498
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919316
2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 54943266
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
CID 71863717
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 114919313
3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62825947
5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 114919110
N,N-diethyl-2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629963

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid (CID 114919354) is 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid is CCN(CC)C(=O)CN(C)c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid?
The InChIKey is UTRDRCSXJNOOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-4-17(5-2)12(18)8-16(3)11-6-9(13(19)20)10(14)7-15-11/h6-7H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid?
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid has a molecular weight of 299.76 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).