4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile

C14H18N4O — CID 63511845

IUPAC4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(N3CCOCC3)C2)ccn1
InChIInChI=1S/C14H18N4O/c15-10-12-9-13(1-3-16-12)18-4-2-14(11-18)17-5-7-19-8-6-17/h1,3,9,14H,2,4-8,11H2
InChIKeyDBHAVKFQIGWKMF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.86
Rot. Bonds2

About 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile

4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 63511845) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID63511845
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(N3CCOCC3)C2)ccn1
InChIInChI=1S/C14H18N4O/c15-10-12-9-13(1-3-16-12)18-4-2-14(11-18)17-5-7-19-8-6-17/h1,3,9,14H,2,4-8,11H2
InChIKeyDBHAVKFQIGWKMF-UHFFFAOYSA-N
XLogP0.86
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
CID 66196783
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345910
4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
2-[2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]acetonitrile
CID 102624315
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625
4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 128901667
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile (CID 63511845) is 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CCC(N3CCOCC3)C2)ccn1.
What is the InChIKey of 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is DBHAVKFQIGWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-12-9-13(1-3-16-12)18-4-2-14(11-18)17-5-7-19-8-6-17/h1,3,9,14H,2,4-8,11H2.
What are the key properties of 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 63511845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).