5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

C21H20N2O2 — CID 58833104

IUPAC5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O2/c1-15(16-7-4-3-5-8-16)23-21(24)19-11-18(13-22-14-19)17-9-6-10-20(12-17)25-2/h3-15H,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyOIWCBQBVPIIPLE-HNNXBMFYSA-N
MW332.40 g/mol
LogP4.25
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 58833104) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID58833104
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O2/c1-15(16-7-4-3-5-8-16)23-21(24)19-11-18(13-22-14-19)17-9-6-10-20(12-17)25-2/h3-15H,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyOIWCBQBVPIIPLE-HNNXBMFYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide
CID 118934572
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
5-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 58833146
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (CID 58833104) is 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is COc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ccccc3)c2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is OIWCBQBVPIIPLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15(16-7-4-3-5-8-16)23-21(24)19-11-18(13-22-14-19)17-9-6-10-20(12-17)25-2/h3-15H,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58833104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).