3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide

C21H19N3O2 — CID 10958899

IUPAC3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)Nc2ccccn2)c1)c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-15(16-8-3-2-4-9-16)23-20(25)17-10-7-11-18(14-17)21(26)24-19-12-5-6-13-22-19/h2-15H,1H3,(H,23,25)(H,22,24,26)/t15-/m0/s1
InChIKeyULIWKIUSZPRHHJ-HNNXBMFYSA-N
MW345.40 g/mol
LogP3.82
Rot. Bonds5

About 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide

3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide (PubChem CID 10958899) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
PubChem CID10958899
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)Nc2ccccn2)c1)c1ccccc1
InChIInChI=1S/C21H19N3O2/c1-15(16-8-3-2-4-9-16)23-20(25)17-10-7-11-18(14-17)21(26)24-19-12-5-6-13-22-19/h2-15H,1H3,(H,23,25)(H,22,24,26)/t15-/m0/s1
InChIKeyULIWKIUSZPRHHJ-HNNXBMFYSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoylamino]-N-pyridin-2-ylbenzamide
CID 95144985
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide (CID 10958899) is 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide is C[C@H](NC(=O)c1cccc(C(=O)Nc2ccccn2)c1)c1ccccc1.
What is the InChIKey of 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is ULIWKIUSZPRHHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15(16-8-3-2-4-9-16)23-20(25)17-10-7-11-18(14-17)21(26)24-19-12-5-6-13-22-19/h2-15H,1H3,(H,23,25)(H,22,24,26)/t15-/m0/s1.
What are the key properties of 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide?
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 10958899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).