3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile

C13H18N4O — CID 79071008

IUPAC3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCN1CCOC(CNCc2cccnc2C#N)C1
InChIInChI=1S/C13H18N4O/c1-17-5-6-18-12(10-17)9-15-8-11-3-2-4-16-13(11)7-14/h2-4,12,15H,5-6,8-10H2,1H3
InChIKeyZJHOMORWNGNHRG-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.37
Rot. Bonds4

About 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile

3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 79071008) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID79071008
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCN1CCOC(CNCc2cccnc2C#N)C1
InChIInChI=1S/C13H18N4O/c1-17-5-6-18-12(10-17)9-15-8-11-3-2-4-16-13(11)7-14/h2-4,12,15H,5-6,8-10H2,1H3
InChIKeyZJHOMORWNGNHRG-UHFFFAOYSA-N
XLogP0.37
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,2-diol
CID 79083126
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
CID 79083227
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79032822
1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 78967537
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
CID 95979245

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile (CID 79071008) is 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile is CN1CCOC(CNCc2cccnc2C#N)C1.
What is the InChIKey of 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is ZJHOMORWNGNHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-5-6-18-12(10-17)9-15-8-11-3-2-4-16-13(11)7-14/h2-4,12,15H,5-6,8-10H2,1H3.
What are the key properties of 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile?
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methylmorpholin-2-yl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 79071008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).