4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile

C12H14N4O2 — CID 104641747

IUPAC4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
SMILESCNc1ccc(C(=O)N2CCOC(C#N)C2)nc1
InChIInChI=1S/C12H14N4O2/c1-14-9-2-3-11(15-7-9)12(17)16-4-5-18-10(6-13)8-16/h2-3,7,10,14H,4-5,8H2,1H3
InChIKeyGTKGCYQCMMBXJY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.49
Rot. Bonds2

About 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile

4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile (PubChem CID 104641747) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
PubChem CID104641747
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
SMILESCNc1ccc(C(=O)N2CCOC(C#N)C2)nc1
InChIInChI=1S/C12H14N4O2/c1-14-9-2-3-11(15-7-9)12(17)16-4-5-18-10(6-13)8-16/h2-3,7,10,14H,4-5,8H2,1H3
InChIKeyGTKGCYQCMMBXJY-UHFFFAOYSA-N
XLogP0.49
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine carbamate/urea derivative 3
CID 89487899
1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 2441086
N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 2964204
1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10878782
N-[4-(4-phenylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 11537385
N-[4-(pyridine-2-carbonylamino)butyl]pyridine-2-carboxamide
CID 3152209
N,N'-(azanediylbis(propane-3,1-diyl))dipicolinamide
CID 661473
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3239666
N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 38449187
N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 45560008
N-{5-[(2-pyridinylcarbonyl)amino]pentyl}-2-pyridinecarboxamide
CID 3152211
N-{3-[(2-pyridinylcarbonyl)amino]propyl}-2-pyridinecarboxamide
CID 647219

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile (CID 104641747) is 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile is CNc1ccc(C(=O)N2CCOC(C#N)C2)nc1.
What is the InChIKey of 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile?
The InChIKey is GTKGCYQCMMBXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-14-9-2-3-11(15-7-9)12(17)16-4-5-18-10(6-13)8-16/h2-3,7,10,14H,4-5,8H2,1H3.
What are the key properties of 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile?
4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 104641747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).