N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide

C15H19N5O — CID 122590470

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CCC(c3ccccn3)C2)C1
InChIInChI=1S/C15H19N5O/c16-11-19-7-5-13(10-19)18-15(21)20-8-4-12(9-20)14-3-1-2-6-17-14/h1-3,6,12-13H,4-5,7-10H2,(H,18,21)/t12?,13-/m1/s1
InChIKeyOZVKDRROSKNCJC-ZGTCLIOFSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds2

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 122590470) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID122590470
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)N2CCC(c3ccccn3)C2)C1
InChIInChI=1S/C15H19N5O/c16-11-19-7-5-13(10-19)18-15(21)20-8-4-12(9-20)14-3-1-2-6-17-14/h1-3,6,12-13H,4-5,7-10H2,(H,18,21)/t12?,13-/m1/s1
InChIKeyOZVKDRROSKNCJC-ZGTCLIOFSA-N
XLogP1.14
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide (CID 122590470) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide is N#CN1CC[C@@H](NC(=O)N2CCC(c3ccccn3)C2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is OZVKDRROSKNCJC-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H19N5O/c16-11-19-7-5-13(10-19)18-15(21)20-8-4-12(9-20)14-3-1-2-6-17-14/h1-3,6,12-13H,4-5,7-10H2,(H,18,21)/t12?,13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 122590470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).