6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide

C19H22N2O2 — CID 94172677

IUPAC6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
SMILESC[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H22N2O2/c1-15(17-10-7-13-20-14-17)21-19(23)12-6-5-11-18(22)16-8-3-2-4-9-16/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyRLWUIMVUGHURKR-OAHLLOKOSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds8

About 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide

6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide (PubChem CID 94172677) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide.

Molecular Properties

Compound Name6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
PubChem CID94172677
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
SMILESC[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H22N2O2/c1-15(17-10-7-13-20-14-17)21-19(23)12-6-5-11-18(22)16-8-3-2-4-9-16/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyRLWUIMVUGHURKR-OAHLLOKOSA-N
XLogP3.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
4-(2-chlorophenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 49372898
4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 94359742
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide?
The IUPAC name of 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide (CID 94172677) is 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide.
What is the SMILES notation for 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide?
The canonical SMILES for 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide is C[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide?
The InChIKey is RLWUIMVUGHURKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(17-10-7-13-20-14-17)21-19(23)12-6-5-11-18(22)16-8-3-2-4-9-16/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide?
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide is sourced from PubChem (CID 94172677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).