4-(pyridine-3-carbonyl)morpholine-2-carbonitrile

C11H11N3O2 — CID 78945686

IUPAC4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C11H11N3O2/c12-6-10-8-14(4-5-16-10)11(15)9-2-1-3-13-7-9/h1-3,7,10H,4-5,8H2
InChIKeyGYFLMCNELORZSY-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.45
Rot. Bonds1

About 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile

4-(pyridine-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945686) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
PubChem CID78945686
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C11H11N3O2/c12-6-10-8-14(4-5-16-10)11(15)9-2-1-3-13-7-9/h1-3,7,10H,4-5,8H2
InChIKeyGYFLMCNELORZSY-UHFFFAOYSA-N
XLogP0.45
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
CID 97204217
4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
CID 78945959
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(4-hydrazinylpyridine-3-carbonyl)morpholine-2-carbonitrile
CID 81249144
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile
CID 78946024
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
4-(3-methylsulfonylbenzoyl)morpholine-2-carbonitrile
CID 78945893
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile (CID 78945686) is 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cccnc2)CCO1.
What is the InChIKey of 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is GYFLMCNELORZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-6-10-8-14(4-5-16-10)11(15)9-2-1-3-13-7-9/h1-3,7,10H,4-5,8H2.
What are the key properties of 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile?
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).