4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C21H24N2O2 — CID 9118329

IUPAC4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccnc1
InChIInChI=1S/C21H24N2O2/c1-15(19-7-4-12-22-14-19)23-21(25)11-10-20(24)18-9-8-16-5-2-3-6-17(16)13-18/h4,7-9,12-15H,2-3,5-6,10-11H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyIBSWWLSGELHNTN-HNNXBMFYSA-N
MW336.44 g/mol
LogP3.80
Rot. Bonds6

About 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 9118329) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID9118329
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESC[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccnc1
InChIInChI=1S/C21H24N2O2/c1-15(19-7-4-12-22-14-19)23-21(25)11-10-20(24)18-9-8-16-5-2-3-6-17(16)13-18/h4,7-9,12-15H,2-3,5-6,10-11H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyIBSWWLSGELHNTN-HNNXBMFYSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95130191
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 8012716
4-(4-fluorophenyl)-4-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9395353
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 31110441
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 41226049
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 41226047
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 9118329) is 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccnc1.
What is the InChIKey of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is IBSWWLSGELHNTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(19-7-4-12-22-14-19)23-21(25)11-10-20(24)18-9-8-16-5-2-3-6-17(16)13-18/h4,7-9,12-15H,2-3,5-6,10-11H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 336.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 9118329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).