5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

C11H14ClN3O4 — CID 114919925

IUPAC5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCOCCNC(=O)CNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O4/c1-19-3-2-13-10(16)6-15-9-4-7(11(17)18)8(12)5-14-9/h4-5H,2-3,6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyVTQJVXXFWHPSRP-UHFFFAOYSA-N
MW287.70 g/mol
LogP0.61
Rot. Bonds7

About 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 114919925) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID114919925
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCOCCNC(=O)CNc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O4/c1-19-3-2-13-10(16)6-15-9-4-7(11(17)18)8(12)5-14-9/h4-5H,2-3,6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyVTQJVXXFWHPSRP-UHFFFAOYSA-N
XLogP0.61
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
CID 114919583
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
CID 112696061
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 114919925) is 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is COCCNC(=O)CNc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is VTQJVXXFWHPSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-19-3-2-13-10(16)6-15-9-4-7(11(17)18)8(12)5-14-9/h4-5H,2-3,6H2,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).