3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile

C15H18N4O2 — CID 155800062

IUPAC3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCOC(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H18N4O2/c16-9-12-3-4-17-10-13(12)19-7-8-21-14(11-19)15(20)18-5-1-2-6-18/h3-4,10,14H,1-2,5-8,11H2
InChIKeyXWTQRBZLGULYQD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.78
Rot. Bonds2

About 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile

3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile (PubChem CID 155800062) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
PubChem CID155800062
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCOC(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H18N4O2/c16-9-12-3-4-17-10-13(12)19-7-8-21-14(11-19)15(20)18-5-1-2-6-18/h3-4,10,14H,1-2,5-8,11H2
InChIKeyXWTQRBZLGULYQD-UHFFFAOYSA-N
XLogP0.78
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163343615
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
CID 129349589
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813
2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197124
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155799926
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
CID 115559870
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile (CID 155800062) is 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile is N#Cc1ccncc1N1CCOC(C(=O)N2CCCC2)C1.
What is the InChIKey of 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile?
The InChIKey is XWTQRBZLGULYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-9-12-3-4-17-10-13(12)19-7-8-21-14(11-19)15(20)18-5-1-2-6-18/h3-4,10,14H,1-2,5-8,11H2.
What are the key properties of 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile?
3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 155800062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).