3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide

C25H26ClN3O3 — CID 26332016

IUPAC3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2ccccc2Cl)c1=O
InChIInChI=1S/C25H26ClN3O3/c1-3-27-24(31)20-15-29(14-13-18-9-5-4-6-10-18)16-21(23(20)30)25(32)28-17(2)19-11-7-8-12-22(19)26/h4-12,15-17H,3,13-14H2,1-2H3,(H,27,31)(H,28,32)/t17-/m1/s1
InChIKeyWLMYYBVCQICHQG-QGZVFWFLSA-N
MW451.95 g/mol
LogP3.99
Rot. Bonds8

About 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide

3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide (PubChem CID 26332016) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
PubChem CID26332016
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2ccccc2Cl)c1=O
InChIInChI=1S/C25H26ClN3O3/c1-3-27-24(31)20-15-29(14-13-18-9-5-4-6-10-18)16-21(23(20)30)25(32)28-17(2)19-11-7-8-12-22(19)26/h4-12,15-17H,3,13-14H2,1-2H3,(H,27,31)(H,28,32)/t17-/m1/s1
InChIKeyWLMYYBVCQICHQG-QGZVFWFLSA-N
XLogP3.99
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[1-(2-chlorophenyl)ethyl]-5-N-cyclooctyl-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
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1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323834
5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide
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2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
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5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691
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CID 81379610
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CID 106501562
N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81238108
3-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42431729
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide (CID 26332016) is 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2ccccc2Cl)c1=O.
What is the InChIKey of 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is WLMYYBVCQICHQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-3-27-24(31)20-15-29(14-13-18-9-5-4-6-10-18)16-21(23(20)30)25(32)28-17(2)19-11-7-8-12-22(19)26/h4-12,15-17H,3,13-14H2,1-2H3,(H,27,31)(H,28,32)/t17-/m1/s1.
What are the key properties of 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide?
3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 451.95 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26332016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).