(2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide

C17H16N4O2 — CID 134418904

IUPAC(2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide
SMILESN#CN1CCO[C@@H](C(=O)Nc2cc(-c3ccccc3)ccn2)C1
InChIInChI=1S/C17H16N4O2/c18-12-21-8-9-23-15(11-21)17(22)20-16-10-14(6-7-19-16)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11H2,(H,19,20,22)/t15-/m1/s1
InChIKeyQAFBIEQHAMSQBB-OAHLLOKOSA-N
MW308.34 g/mol
LogP1.87
Rot. Bonds3

About (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide

(2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide (PubChem CID 134418904) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide
PubChem CID134418904
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide
SMILESN#CN1CCO[C@@H](C(=O)Nc2cc(-c3ccccc3)ccn2)C1
InChIInChI=1S/C17H16N4O2/c18-12-21-8-9-23-15(11-21)17(22)20-16-10-14(6-7-19-16)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11H2,(H,19,20,22)/t15-/m1/s1
InChIKeyQAFBIEQHAMSQBB-OAHLLOKOSA-N
XLogP1.87
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)propanamide
CID 10472936
4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24884489
N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 24952500
1,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclohexanecarboxamide
CID 24956045
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclopentanecarboxamide
CID 45487684
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclohexanecarboxamide
CID 45487685
N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pivalamide
CID 45487771
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pentanamide
CID 45487780
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclopropanecarboxamide
CID 45487781
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclobutanecarboxamide
CID 45487782

Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide (CID 134418904) is (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide is N#CN1CCO[C@@H](C(=O)Nc2cc(-c3ccccc3)ccn2)C1.
What is the InChIKey of (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide?
The InChIKey is QAFBIEQHAMSQBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-12-21-8-9-23-15(11-21)17(22)20-16-10-14(6-7-19-16)13-4-2-1-3-5-13/h1-7,10,15H,8-9,11H2,(H,19,20,22)/t15-/m1/s1.
What are the key properties of (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide?
(2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyano-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide is sourced from PubChem (CID 134418904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).