2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide

C19H21N3O2 — CID 71888287

IUPAC2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H21N3O2/c23-18(14-22-12-6-2-5-9-19(22)24)21-17-11-10-16(13-20-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,20,21,23)
InChIKeyCFFHUZZGAAGWIQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide

2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 71888287) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID71888287
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H21N3O2/c23-18(14-22-12-6-2-5-9-19(22)24)21-17-11-10-16(13-20-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,20,21,23)
InChIKeyCFFHUZZGAAGWIQ-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 138700717
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide
CID 157016695
2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 144869142
N-(3-hydroxy-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47051578
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 97082969
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
N-(2-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 29276180
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
2-(2-oxopiperidin-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 78883367
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide (CID 71888287) is 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide is O=C(CN1CCCCCC1=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is CFFHUZZGAAGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(14-22-12-6-2-5-9-19(22)24)21-17-11-10-16(13-20-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,20,21,23).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide?
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 71888287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).