1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide

C21H20N4O3 — CID 130408738

IUPAC1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide
SMILESCc1c(C(=O)C(=O)Nc2ccccn2)c(C)n(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O3/c1-13-17(19(26)21(28)24-16-11-7-8-12-22-16)14(2)25(3)18(13)20(27)23-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,23,27)(H,22,24,28)
InChIKeyMEFVEOAIJSPPTJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.11
Rot. Bonds5

About 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide

1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide (PubChem CID 130408738) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide
PubChem CID130408738
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide
SMILESCc1c(C(=O)C(=O)Nc2ccccn2)c(C)n(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O3/c1-13-17(19(26)21(28)24-16-11-7-8-12-22-16)14(2)25(3)18(13)20(27)23-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,23,27)(H,22,24,28)
InChIKeyMEFVEOAIJSPPTJ-UHFFFAOYSA-N
XLogP3.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluoro-3-pyridinyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide
CID 130408508
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-(2-oxopropanoyl)pyrrole-2-carboxamide
CID 130421423
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
CID 108525910
pyridine;N-pyridin-2-ylacetamide
CID 67298573
ethyl 1,3,5-trimethyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]pyrrole-2-carboxylate
CID 43953993
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
(2-methylphenyl) N-pyridin-2-ylcarbamate
CID 127542519

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide (CID 130408738) is 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide is Cc1c(C(=O)C(=O)Nc2ccccn2)c(C)n(C)c1C(=O)Nc1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide?
The InChIKey is MEFVEOAIJSPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-17(19(26)21(28)24-16-11-7-8-12-22-16)14(2)25(3)18(13)20(27)23-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,23,27)(H,22,24,28).
What are the key properties of 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide?
1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[2-oxo-2-(pyridin-2-ylamino)acetyl]-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 130408738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).