1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid

C14H14N2O3 — CID 160512764

IUPAC1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCc1ccc(C(=O)Cc2cc(C(=O)O)n(C)c2)nc1
InChIInChI=1S/C14H14N2O3/c1-9-3-4-11(15-7-9)13(17)6-10-5-12(14(18)19)16(2)8-10/h3-5,7-8H,6H2,1-2H3,(H,18,19)
InChIKeyFATRVXJYRNLXJG-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.85
Rot. Bonds4

About 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid

1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 160512764) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID160512764
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCc1ccc(C(=O)Cc2cc(C(=O)O)n(C)c2)nc1
InChIInChI=1S/C14H14N2O3/c1-9-3-4-11(15-7-9)13(17)6-10-5-12(14(18)19)16(2)8-10/h3-5,7-8H,6H2,1-2H3,(H,18,19)
InChIKeyFATRVXJYRNLXJG-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid (CID 160512764) is 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid is Cc1ccc(C(=O)Cc2cc(C(=O)O)n(C)c2)nc1.
What is the InChIKey of 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is FATRVXJYRNLXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-4-11(15-7-9)13(17)6-10-5-12(14(18)19)16(2)8-10/h3-5,7-8H,6H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid?
1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(5-methyl-2-pyridinyl)-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 160512764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).