N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide

C22H25N5O2 — CID 165414447

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cccc(N3CCC(Oc4ccccc4)CC3)n2)C1
InChIInChI=1S/C22H25N5O2/c23-16-26-12-9-17(15-26)24-22(28)20-7-4-8-21(25-20)27-13-10-19(11-14-27)29-18-5-2-1-3-6-18/h1-8,17,19H,9-15H2,(H,24,28)/t17-/m1/s1
InChIKeyQOVKDRQPMRQLQR-QGZVFWFLSA-N
MW391.48 g/mol
LogP2.41
Rot. Bonds5

About N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 165414447) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide
PubChem CID165414447
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cccc(N3CCC(Oc4ccccc4)CC3)n2)C1
InChIInChI=1S/C22H25N5O2/c23-16-26-12-9-17(15-26)24-22(28)20-7-4-8-21(25-20)27-13-10-19(11-14-27)29-18-5-2-1-3-6-18/h1-8,17,19H,9-15H2,(H,24,28)/t17-/m1/s1
InChIKeyQOVKDRQPMRQLQR-QGZVFWFLSA-N
XLogP2.41
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide (CID 165414447) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide is N#CN1CC[C@@H](NC(=O)c2cccc(N3CCC(Oc4ccccc4)CC3)n2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is QOVKDRQPMRQLQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-16-26-12-9-17(15-26)24-22(28)20-7-4-8-21(25-20)27-13-10-19(11-14-27)29-18-5-2-1-3-6-18/h1-8,17,19H,9-15H2,(H,24,28)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165414447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).