N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide

C15H19N5O2 — CID 122590746

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C15H19N5O2/c16-11-19-4-3-13(10-19)18-15(21)12-1-2-14(17-9-12)20-5-7-22-8-6-20/h1-2,9,13H,3-8,10H2,(H,18,21)/t13-/m1/s1
InChIKeyWKUXQKGWJPVLSS-CYBMUJFWSA-N
MW301.35 g/mol
LogP0.20
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 122590746) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID122590746
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C15H19N5O2/c16-11-19-4-3-13(10-19)18-15(21)12-1-2-14(17-9-12)20-5-7-22-8-6-20/h1-2,9,13H,3-8,10H2,(H,18,21)/t13-/m1/s1
InChIKeyWKUXQKGWJPVLSS-CYBMUJFWSA-N
XLogP0.20
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.20
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-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 122590746) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide is N#CN1CC[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is WKUXQKGWJPVLSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-11-19-4-3-13(10-19)18-15(21)12-1-2-14(17-9-12)20-5-7-22-8-6-20/h1-2,9,13H,3-8,10H2,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.20, 3 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-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 122590746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).