1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C15H17N3O3 — CID 79323921

IUPAC1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-17(10-6-12-4-7-16-8-5-12)14(19)11-18-9-2-3-13(18)15(20)21/h2-5,7-9H,6,10-11H2,1H3,(H,20,21)
InChIKeyFXUODBAFWVJPSR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.28
Rot. Bonds6

About 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79323921) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79323921
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-17(10-6-12-4-7-16-8-5-12)14(19)11-18-9-2-3-13(18)15(20)21/h2-5,7-9H,6,10-11H2,1H3,(H,20,21)
InChIKeyFXUODBAFWVJPSR-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
2-(4-benzylpiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001508
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 79328384
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79323921) is 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is CN(CCc1ccncc1)C(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is FXUODBAFWVJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(10-6-12-4-7-16-8-5-12)14(19)11-18-9-2-3-13(18)15(20)21/h2-5,7-9H,6,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79323921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).