N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride

C101H133ClN18O18 — CID 161233257

About N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride

N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 161233257) has the molecular formula C101H133ClN18O18 and a molecular weight of 1922.74 g/mol. Its IUPAC name is N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
• PubChem CID: 161233257
• Molecular Formula: C101H133ClN18O18
• Molecular Weight: 1922.74 g/mol
• Exact Mass: 1920.97
• IUPAC Name: N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
• SMILES: COC(=O)C1CCN(c2ccccn2)C1.COC(=O)N1CCNC1.Cl.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccccn2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccccn2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccccn2)C1.O=C(O)C1CCN(c2ccccn2)C1
• InChI: InChI=1S/3C25H32N4O4.C11H14N2O2.C10H12N2O2.C5H10N2O2.ClH/c3*30-24(18-6-7-21-22(15-18)33-14-13-32-21)20(17-28-10-3-4-11-28)27-25(31)19-8-12-29(16-19)23-5-1-2-9-26-23;1-15-11(14)9-5-7-13(8-9)10-4-2-3-6-12-10;13-10(14)8-4-6-12(7-8)9-3-1-2-5-11-9;1-9-5(8)7-3-2-6-4-7;/h3*1-2,5-7,9,15,19-20,24,30H,3-4,8,10-14,16-17H2,(H,27,31);2-4,6,9H,5,7-8H2,1H3;1-3,5,8H,4,6-7H2,(H,13,14);6H,2-4H2,1H3;1H/t19?,20-,24-;19-,20+,24+;19-,20-,24-;;;;/m101..../s1
• InChIKey: ORADMAOJWURCIP-ULBMHRCRSA-N
• XLogP: 8.09
• TPSA: 398.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.74
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?

The IUPAC name of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride (CID 161233257) is N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?

The canonical SMILES for N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride is COC(=O)C1CCN(c2ccccn2)C1.COC(=O)N1CCNC1.Cl.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccccn2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccccn2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccccn2)C1.O=C(O)C1CCN(c2ccccn2)C1.

What is the InChIKey of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?

The InChIKey is ORADMAOJWURCIP-ULBMHRCRSA-N. The full InChI is InChI=1S/3C25H32N4O4.C11H14N2O2.C10H12N2O2.C5H10N2O2.ClH/c3*30-24(18-6-7-21-22(15-18)33-14-13-32-21)20(17-28-10-3-4-11-28)27-25(31)19-8-12-29(16-19)23-5-1-2-9-26-23;1-15-11(14)9-5-7-13(8-9)10-4-2-3-6-12-10;13-10(14)8-4-6-12(7-8)9-3-1-2-5-11-9;1-9-5(8)7-3-2-6-4-7;/h3*1-2,5-7,9,15,19-20,24,30H,3-4,8,10-14,16-17H2,(H,27,31);2-4,6,9H,5,7-8H2,1H3;1-3,5,8H,4,6-7H2,(H,13,14);6H,2-4H2,1H3;1H/t19?,20-,24-;19-,20+,24+;19-,20-,24-;;;;/m101..../s1.

What are the key properties of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?

N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 1922.74 g/mol, XLogP of 8.09, 25 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl imidazolidine-1-carboxylate;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 161233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).