N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C20H19N3O — CID 2507537

IUPACN-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O/c21-14-18-8-4-5-9-19(18)22-20(24)15-23-12-10-17(11-13-23)16-6-2-1-3-7-16/h1-10H,11-13,15H2,(H,22,24)
InChIKeyQSJFNSJIAGQLGZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.29
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 2507537) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID2507537
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O/c21-14-18-8-4-5-9-19(18)22-20(24)15-23-12-10-17(11-13-23)16-6-2-1-3-7-16/h1-10H,11-13,15H2,(H,22,24)
InChIKeyQSJFNSJIAGQLGZ-UHFFFAOYSA-N
XLogP3.29
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 2507537) is N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is N#Cc1ccccc1NC(=O)CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is QSJFNSJIAGQLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c21-14-18-8-4-5-9-19(18)22-20(24)15-23-12-10-17(11-13-23)16-6-2-1-3-7-16/h1-10H,11-13,15H2,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 2507537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).