5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide

C28H27N3O3 — CID 42368833

IUPAC5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc3ccccc23)c1=O
InChIInChI=1S/C28H27N3O3/c1-2-29-27(33)24-18-31(16-15-20-9-4-3-5-10-20)19-25(26(24)32)28(34)30-17-22-13-8-12-21-11-6-7-14-23(21)22/h3-14,18-19H,2,15-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyYHVXSMGXVOFSRN-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.92
Rot. Bonds8

About 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide

5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide (PubChem CID 42368833) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
PubChem CID42368833
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc3ccccc23)c1=O
InChIInChI=1S/C28H27N3O3/c1-2-29-27(33)24-18-31(16-15-20-9-4-3-5-10-20)19-25(26(24)32)28(34)30-17-22-13-8-12-21-11-6-7-14-23(21)22/h3-14,18-19H,2,15-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyYHVXSMGXVOFSRN-UHFFFAOYSA-N
XLogP3.92
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-4-oxo-1-(2-phenylethyl)-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
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CID 26332016
5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide
CID 25290308
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5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
5-N-methyl-3-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42164931
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-(naphthalen-1-ylmethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide (CID 42368833) is 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccc3ccccc23)c1=O.
What is the InChIKey of 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is YHVXSMGXVOFSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-2-29-27(33)24-18-31(16-15-20-9-4-3-5-10-20)19-25(26(24)32)28(34)30-17-22-13-8-12-21-11-6-7-14-23(21)22/h3-14,18-19H,2,15-17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-(naphthalen-1-ylmethyl)-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42368833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).