N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C21H22N4O3 — CID 39072303

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C21H22N4O3/c26-19(14-25-20(27)16-7-3-4-8-17(16)21(25)28)23-18-10-9-15(13-22-18)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,23,26)
InChIKeyFNAXITCUWWTBIW-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.70
Rot. Bonds4

About N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 39072303) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID39072303
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C21H22N4O3/c26-19(14-25-20(27)16-7-3-4-8-17(16)21(25)28)23-18-10-9-15(13-22-18)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,23,26)
InChIKeyFNAXITCUWWTBIW-UHFFFAOYSA-N
XLogP2.70
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110361923
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-yl-2-pyridinyl)amino]ethyl]acetamide
CID 78878188

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 39072303) is N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cn1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FNAXITCUWWTBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(14-25-20(27)16-7-3-4-8-17(16)21(25)28)23-18-10-9-15(13-22-18)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,23,26).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 39072303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).