5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C28H32N4O3 — CID 45250841

IUPAC5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)NC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C28H32N4O3/c1-20(2)32-18-24(27(34)29-15-21-9-5-3-6-10-21)26(33)25(19-32)28(35)30-23-13-14-31(17-23)16-22-11-7-4-8-12-22/h3-12,18-20,23H,13-17H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyFDJPYOZCTALPEZ-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.36
Rot. Bonds8

About 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 45250841) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID45250841
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)NC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C28H32N4O3/c1-20(2)32-18-24(27(34)29-15-21-9-5-3-6-10-21)26(33)25(19-32)28(35)30-23-13-14-31(17-23)16-22-11-7-4-8-12-22/h3-12,18-20,23H,13-17H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyFDJPYOZCTALPEZ-UHFFFAOYSA-N
XLogP3.36
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-N-(1-benzylpyrrolidin-3-yl)-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
CID 45169086
3-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-cyclopentyl-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
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CID 46546920
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
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N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
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N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
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4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
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2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 45250841) is 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)NC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is FDJPYOZCTALPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20(2)32-18-24(27(34)29-15-21-9-5-3-6-10-21)26(33)25(19-32)28(35)30-23-13-14-31(17-23)16-22-11-7-4-8-12-22/h3-12,18-20,23H,13-17H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 45250841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).