N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide

C21H25N3O2 — CID 157016695

IUPACN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCCCCC2=O)cc(-c2ccccc2)c1C
InChIInChI=1S/C21H25N3O2/c1-15-16(2)22-19(13-18(15)17-9-5-3-6-10-17)23-20(25)14-24-12-8-4-7-11-21(24)26/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,22,23,25)
InChIKeyBCLWMJJFTRFTAK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.71
Rot. Bonds4

About N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide

N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 157016695) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID157016695
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCCCCC2=O)cc(-c2ccccc2)c1C
InChIInChI=1S/C21H25N3O2/c1-15-16(2)22-19(13-18(15)17-9-5-3-6-10-17)23-20(25)14-24-12-8-4-7-11-21(24)26/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,22,23,25)
InChIKeyBCLWMJJFTRFTAK-UHFFFAOYSA-N
XLogP3.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide (CID 157016695) is N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide is Cc1nc(NC(=O)CN2CCCCCC2=O)cc(-c2ccccc2)c1C.
What is the InChIKey of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is BCLWMJJFTRFTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-16(2)22-19(13-18(15)17-9-5-3-6-10-17)23-20(25)14-24-12-8-4-7-11-21(24)26/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,22,23,25).
What are the key properties of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide?
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 157016695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).