N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide

C14H15N3O2 — CID 110871344

IUPACN-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C14H15N3O2/c1-10(18)17-6-5-13(9-17)16-14(19)12-4-2-3-11(7-12)8-15/h2-4,7,13H,5-6,9H2,1H3,(H,16,19)
InChIKeyXDJZTTLKVCWAEK-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.91
Rot. Bonds2

About N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide

N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide (PubChem CID 110871344) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
PubChem CID110871344
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C14H15N3O2/c1-10(18)17-6-5-13(9-17)16-14(19)12-4-2-3-11(7-12)8-15/h2-4,7,13H,5-6,9H2,1H3,(H,16,19)
InChIKeyXDJZTTLKVCWAEK-UHFFFAOYSA-N
XLogP0.91
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 110820149
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
CID 175065160
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide (CID 110871344) is N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide is CC(=O)N1CCC(NC(=O)c2cccc(C#N)c2)C1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide?
The InChIKey is XDJZTTLKVCWAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)17-6-5-13(9-17)16-14(19)12-4-2-3-11(7-12)8-15/h2-4,7,13H,5-6,9H2,1H3,(H,16,19).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide?
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide has a molecular weight of 257.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide is sourced from PubChem (CID 110871344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).