3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide

C15H19N3O2 — CID 133268317

IUPAC3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
SMILESCCN1C[C@@H](NC(=O)c2cccc(C#N)c2)[C@H](OC)C1
InChIInChI=1S/C15H19N3O2/c1-3-18-9-13(14(10-18)20-2)17-15(19)12-6-4-5-11(7-12)8-16/h4-7,13-14H,3,9-10H2,1-2H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyGSZRLHIPDGUFEZ-ZIAGYGMSSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds4

About 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide

3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide (PubChem CID 133268317) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
PubChem CID133268317
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
SMILESCCN1C[C@@H](NC(=O)c2cccc(C#N)c2)[C@H](OC)C1
InChIInChI=1S/C15H19N3O2/c1-3-18-9-13(14(10-18)20-2)17-15(19)12-6-4-5-11(7-12)8-16/h4-7,13-14H,3,9-10H2,1-2H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyGSZRLHIPDGUFEZ-ZIAGYGMSSA-N
XLogP1.01
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
CID 133267024
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide (CID 133268317) is 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide is CCN1C[C@@H](NC(=O)c2cccc(C#N)c2)[C@H](OC)C1.
What is the InChIKey of 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
The InChIKey is GSZRLHIPDGUFEZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-9-13(14(10-18)20-2)17-15(19)12-6-4-5-11(7-12)8-16/h4-7,13-14H,3,9-10H2,1-2H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide is sourced from PubChem (CID 133268317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).