2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide

C24H16FN5O — CID 58447671

IUPAC2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESN#Cc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)ccc1-c1ccnc(F)c1
InChIInChI=1S/C24H16FN5O/c25-22-13-17(8-10-28-22)20-6-4-16(11-19(20)14-26)12-24(31)30-23-7-5-18(15-29-23)21-3-1-2-9-27-21/h1-11,13,15H,12H2,(H,29,30,31)
InChIKeyPVTMPWBIAGLLHG-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.40
Rot. Bonds5

About 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide

2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447671) has the molecular formula C24H16FN5O and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
PubChem CID58447671
Molecular FormulaC24H16FN5O
Molecular Weight409.42 g/mol
Exact Mass409.13
IUPAC Name2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESN#Cc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)ccc1-c1ccnc(F)c1
InChIInChI=1S/C24H16FN5O/c25-22-13-17(8-10-28-22)20-6-4-16(11-19(20)14-26)12-24(31)30-23-7-5-18(15-29-23)21-3-1-2-9-27-21/h1-11,13,15H,12H2,(H,29,30,31)
InChIKeyPVTMPWBIAGLLHG-UHFFFAOYSA-N
XLogP4.40
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 90988265
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447780
2-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 58447863
2-[5-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 46927365
2-[3-(1,1-difluoroethyl)-4-(3-methylphenyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 91447269
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
CID 58447714
2-[4-(4-ethyl-6-methylcyclohepta-1,3,6-trien-1-yl)-3-methylphenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 91341916
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 160664968
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447787
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide;2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;N-(5-pyridin-2-yl-2-pyridinyl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
CID 161125461
2-(4-phenylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 167973654
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447723

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (CID 58447671) is 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is N#Cc1cc(CC(=O)Nc2ccc(-c3ccccn3)cn2)ccc1-c1ccnc(F)c1.
What is the InChIKey of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The InChIKey is PVTMPWBIAGLLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O/c25-22-13-17(8-10-28-22)20-6-4-16(11-19(20)14-26)12-24(31)30-23-7-5-18(15-29-23)21-3-1-2-9-27-21/h1-11,13,15H,12H2,(H,29,30,31).
What are the key properties of 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide has a molecular weight of 409.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).