2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid

C12H11N3O3 — CID 79325142

IUPAC2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)Nc1cccnc1
InChIInChI=1S/C12H11N3O3/c16-11(17)8-15-6-2-4-10(15)12(18)14-9-3-1-5-13-7-9/h1-7H,8H2,(H,14,18)(H,16,17)
InChIKeyACTSPJIMIHGSHX-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.22
Rot. Bonds4

About 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid

2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid (PubChem CID 79325142) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
PubChem CID79325142
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)Nc1cccnc1
InChIInChI=1S/C12H11N3O3/c16-11(17)8-15-6-2-4-10(15)12(18)14-9-3-1-5-13-7-9/h1-7H,8H2,(H,14,18)(H,16,17)
InChIKeyACTSPJIMIHGSHX-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325577
2-[2-[[4-(dimethylamino)phenyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79321914
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
2-[2-(2-imidazol-1-ylethylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79324658
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-[2-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 83170475
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
1-[(2-chlorophenyl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 7598532

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid (CID 79325142) is 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid?
The InChIKey is ACTSPJIMIHGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11(17)8-15-6-2-4-10(15)12(18)14-9-3-1-5-13-7-9/h1-7H,8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid?
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid has a molecular weight of 245.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).