N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide

C23H25N3O — CID 166629515

IUPACN-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1
InChIInChI=1S/C23H25N3O/c1-17-21(20-7-4-3-5-8-20)9-6-10-22(17)23-12-11-19(16-26-23)15-24-13-14-25-18(2)27/h3-12,16,24H,13-15H2,1-2H3,(H,25,27)
InChIKeyCYQBIEKMAGMCQN-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.95
Rot. Bonds7

About N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide

N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 166629515) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID166629515
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1
InChIInChI=1S/C23H25N3O/c1-17-21(20-7-4-3-5-8-20)9-6-10-22(17)23-12-11-19(16-26-23)15-24-13-14-25-18(2)27/h3-12,16,24H,13-15H2,1-2H3,(H,25,27)
InChIKeyCYQBIEKMAGMCQN-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide (CID 166629515) is N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(-c2cccc(-c3ccccc3)c2C)nc1.
What is the InChIKey of N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is CYQBIEKMAGMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-21(20-7-4-3-5-8-20)9-6-10-22(17)23-12-11-19(16-26-23)15-24-13-14-25-18(2)27/h3-12,16,24H,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 166629515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).