4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile

C12H12N4O — CID 79674868

IUPAC4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
SMILESN#Cc1cc(CN2CCOC(C#N)C2)ccn1
InChIInChI=1S/C12H12N4O/c13-6-11-5-10(1-2-15-11)8-16-3-4-17-12(7-14)9-16/h1-2,5,12H,3-4,8-9H2
InChIKeyLVQGQNKUXJIAGL-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.68
Rot. Bonds2

About 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile

4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile (PubChem CID 79674868) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
PubChem CID79674868
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
SMILESN#Cc1cc(CN2CCOC(C#N)C2)ccn1
InChIInChI=1S/C12H12N4O/c13-6-11-5-10(1-2-15-11)8-16-3-4-17-12(7-14)9-16/h1-2,5,12H,3-4,8-9H2
InChIKeyLVQGQNKUXJIAGL-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-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-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
4-[(3-amino-4-bromophenyl)methyl]morpholine-2-carbonitrile
CID 113335147
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479
4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 112703461
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile (CID 79674868) is 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile is N#Cc1cc(CN2CCOC(C#N)C2)ccn1.
What is the InChIKey of 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile?
The InChIKey is LVQGQNKUXJIAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-6-11-5-10(1-2-15-11)8-16-3-4-17-12(7-14)9-16/h1-2,5,12H,3-4,8-9H2.
What are the key properties of 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile?
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).