4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide

C19H17N3O3 — CID 51103032

IUPAC4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2cnccc2Oc2ccccc2)n(C)c1
InChIInChI=1S/C19H17N3O3/c1-13(23)14-10-17(22(2)12-14)19(24)21-16-11-20-9-8-18(16)25-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24)
InChIKeyXYXXWUFTIYSABK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.67
Rot. Bonds5

About 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide

4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide (PubChem CID 51103032) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
PubChem CID51103032
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2cnccc2Oc2ccccc2)n(C)c1
InChIInChI=1S/C19H17N3O3/c1-13(23)14-10-17(22(2)12-14)19(24)21-16-11-20-9-8-18(16)25-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24)
InChIKeyXYXXWUFTIYSABK-UHFFFAOYSA-N
XLogP3.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940
4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 86929687
4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
CID 99773603
(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 128987474
(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide
CID 95149640
6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63643592
4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43540428
N-(4-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 119866026
4-fluoro-N-(4-phenoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 51129808
N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119866030
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-phenoxy-3-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940223
4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 113236894

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide (CID 51103032) is 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2cnccc2Oc2ccccc2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is XYXXWUFTIYSABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(23)14-10-17(22(2)12-14)19(24)21-16-11-20-9-8-18(16)25-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24).
What are the key properties of 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 51103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).