N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C23H26N4O3 — CID 39072386

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C23H26N4O3/c28-21(10-7-15-27-22(29)18-8-3-4-9-19(18)23(27)30)25-20-12-11-17(16-24-20)26-13-5-1-2-6-14-26/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H,24,25,28)
InChIKeyCYDSVCKPISWORM-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.48
Rot. Bonds6

About N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 39072386) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID39072386
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C23H26N4O3/c28-21(10-7-15-27-22(29)18-8-3-4-9-19(18)23(27)30)25-20-12-11-17(16-24-20)26-13-5-1-2-6-14-26/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H,24,25,28)
InChIKeyCYDSVCKPISWORM-UHFFFAOYSA-N
XLogP3.48
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.48
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]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
CID 110361837
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948152
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122295907
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 39072386) is N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cn1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is CYDSVCKPISWORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(10-7-15-27-22(29)18-8-3-4-9-19(18)23(27)30)25-20-12-11-17(16-24-20)26-13-5-1-2-6-14-26/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H,24,25,28).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 406.49 g/mol, XLogP of 3.48, 6 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]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 39072386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).