5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid

C15H16N2O5 — CID 119246100

IUPAC5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C15H16N2O5/c1-7-12(9(3)18)8(2)17-13(7)14(19)16-6-10-4-5-11(22-10)15(20)21/h4-5,17H,6H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyODONQDBLHVGBJU-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.06
Rot. Bonds5

About 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 119246100) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID119246100
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C15H16N2O5/c1-7-12(9(3)18)8(2)17-13(7)14(19)16-6-10-4-5-11(22-10)15(20)21/h4-5,17H,6H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyODONQDBLHVGBJU-UHFFFAOYSA-N
XLogP2.06
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 31466059
4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 17402412
4-acetyl-3,5-dimethyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1H-pyrrole-2-carboxamide
CID 31439511
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 90651281
4-acetyl-3,5-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55725322
4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 32895816
2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245465
(2S)-2-[[2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695708
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 119246100) is 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid is CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(=O)O)o2)c1C.
What is the InChIKey of 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is ODONQDBLHVGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-7-12(9(3)18)8(2)17-13(7)14(19)16-6-10-4-5-11(22-10)15(20)21/h4-5,17H,6H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).