2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

C16H19N3O2 — CID 118781498

IUPAC2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESN#Cc1ccccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C16H19N3O2/c17-9-12-5-1-2-6-13(12)16(20)18-14-10-21-11-15(14)19-7-3-4-8-19/h1-2,5-6,14-15H,3-4,7-8,10-11H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyTUNKDRXPTMGOGG-GJZGRUSLSA-N
MW285.35 g/mol
LogP1.15
Rot. Bonds3

About 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (PubChem CID 118781498) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
PubChem CID118781498
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESN#Cc1ccccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C16H19N3O2/c17-9-12-5-1-2-6-13(12)16(20)18-14-10-21-11-15(14)19-7-3-4-8-19/h1-2,5-6,14-15H,3-4,7-8,10-11H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyTUNKDRXPTMGOGG-GJZGRUSLSA-N
XLogP1.15
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
CID 118788686
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-2-carboxamide
CID 91841039
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
3-pyrazolo[1,5-a]pyridin-3-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 122570409
4-(6-oxo-1H-pyridin-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]benzamide
CID 119060191

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The IUPAC name of 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (CID 118781498) is 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.
What is the SMILES notation for 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The canonical SMILES for 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is N#Cc1ccccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The InChIKey is TUNKDRXPTMGOGG-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-9-12-5-1-2-6-13(12)16(20)18-14-10-21-11-15(14)19-7-3-4-8-19/h1-2,5-6,14-15H,3-4,7-8,10-11H2,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is sourced from PubChem (CID 118781498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).