1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid

C14H15N3O3 — CID 79325040

IUPAC1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCCc1ccncc1
InChIInChI=1S/C14H15N3O3/c18-13(10-17-9-1-2-12(17)14(19)20)16-8-5-11-3-6-15-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,16,18)(H,19,20)
InChIKeyUGHHVNDMCLVALR-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.94
Rot. Bonds6

About 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid

1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid (PubChem CID 79325040) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
PubChem CID79325040
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCCc1ccncc1
InChIInChI=1S/C14H15N3O3/c18-13(10-17-9-1-2-12(17)14(19)20)16-8-5-11-3-6-15-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,16,18)(H,19,20)
InChIKeyUGHHVNDMCLVALR-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323925
1-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324255
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323921
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114957290
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 106341876
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107595265
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid (CID 79325040) is 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NCCc1ccncc1.
What is the InChIKey of 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid?
The InChIKey is UGHHVNDMCLVALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(10-17-9-1-2-12(17)14(19)20)16-8-5-11-3-6-15-7-4-11/h1-4,6-7,9H,5,8,10H2,(H,16,18)(H,19,20).
What are the key properties of 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid?
1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79325040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).