4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide

C15H17N3O4 — CID 166322487

IUPAC4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC(CO)C(O)c2ccccn2)c1
InChIInChI=1S/C15H17N3O4/c1-9(20)10-6-12(17-7-10)15(22)18-13(8-19)14(21)11-4-2-3-5-16-11/h2-7,13-14,17,19,21H,8H2,1H3,(H,18,22)
InChIKeyLOOOUEOFZHKONL-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.44
Rot. Bonds6

About 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 166322487) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID166322487
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC(CO)C(O)c2ccccn2)c1
InChIInChI=1S/C15H17N3O4/c1-9(20)10-6-12(17-7-10)15(22)18-13(8-19)14(21)11-4-2-3-5-16-11/h2-7,13-14,17,19,21H,8H2,1H3,(H,18,22)
InChIKeyLOOOUEOFZHKONL-UHFFFAOYSA-N
XLogP0.44
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 43394554
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 18163101
[(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-phenylethyl]-dimethylazanium
CID 8938260
N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-2-(2-fluorophenoxy)acetamide
CID 126825240
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
3-chloro-N-[(2S)-1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138545
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353042
N-(1-hydroxy-3-methylpentan-2-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821141
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide (CID 166322487) is 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC(CO)C(O)c2ccccn2)c1.
What is the InChIKey of 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is LOOOUEOFZHKONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(20)10-6-12(17-7-10)15(22)18-13(8-19)14(21)11-4-2-3-5-16-11/h2-7,13-14,17,19,21H,8H2,1H3,(H,18,22).
What are the key properties of 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166322487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).