N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide

C25H21N3O — CID 171472422

IUPACN-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide
SMILESCc1cc(-c2cc(-c3cccnc3)ccc2NC(=O)Cc2ccccc2)ccn1
InChIInChI=1S/C25H21N3O/c1-18-14-21(11-13-27-18)23-16-20(22-8-5-12-26-17-22)9-10-24(23)28-25(29)15-19-6-3-2-4-7-19/h2-14,16-17H,15H2,1H3,(H,28,29)
InChIKeyZDKRNGOPWHFXLC-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.30
Rot. Bonds5

About N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide

N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide (PubChem CID 171472422) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide
PubChem CID171472422
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC NameN-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide
SMILESCc1cc(-c2cc(-c3cccnc3)ccc2NC(=O)Cc2ccccc2)ccn1
InChIInChI=1S/C25H21N3O/c1-18-14-21(11-13-27-18)23-16-20(22-8-5-12-26-17-22)9-10-24(23)28-25(29)15-19-6-3-2-4-7-19/h2-14,16-17H,15H2,1H3,(H,28,29)
InChIKeyZDKRNGOPWHFXLC-UHFFFAOYSA-N
XLogP5.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
2-methyl-4-pyridin-3-ylpyridine;propane
CID 144569163
N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 58447730
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447723
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
2-phenyl-N-(5-phenylquinolin-8-yl)acetamide
CID 141483582
(2-borono-5-pyridin-3-ylphenyl)carbamic acid
CID 175306563
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide (CID 171472422) is N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide is Cc1cc(-c2cc(-c3cccnc3)ccc2NC(=O)Cc2ccccc2)ccn1.
What is the InChIKey of N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide?
The InChIKey is ZDKRNGOPWHFXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-18-14-21(11-13-27-18)23-16-20(22-8-5-12-26-17-22)9-10-24(23)28-25(29)15-19-6-3-2-4-7-19/h2-14,16-17H,15H2,1H3,(H,28,29).
What are the key properties of N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide?
N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide has a molecular weight of 379.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-pyridinyl)-4-pyridin-3-ylphenyl]-2-phenylacetamide is sourced from PubChem (CID 171472422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).