2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile

C13H17N3O — CID 82082122

IUPAC2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
SMILESCC(C#N)(Cc1cccnc1)N1CCOCC1
InChIInChI=1S/C13H17N3O/c1-13(11-14,16-5-7-17-8-6-16)9-12-3-2-4-15-10-12/h2-4,10H,5-9H2,1H3
InChIKeyQDEMRNVSEJBFCO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile

2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile (PubChem CID 82082122) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
PubChem CID82082122
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
SMILESCC(C#N)(Cc1cccnc1)N1CCOCC1
InChIInChI=1S/C13H17N3O/c1-13(11-14,16-5-7-17-8-6-16)9-12-3-2-4-15-10-12/h2-4,10H,5-9H2,1H3
InChIKeyQDEMRNVSEJBFCO-UHFFFAOYSA-N
XLogP1.24
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
CID 82078667
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
3-(4-bromophenyl)-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82095044
3-[4-(dimethylamino)phenyl]-2-methyl-2-morpholin-4-ylpropanenitrile
CID 82093562
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82118256
(2-methyl-2-morpholin-4-yl-1-pyridin-3-ylpropyl)hydrazine
CID 105240198
2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile
CID 82089590
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048448
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30841499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile (CID 82082122) is 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile is CC(C#N)(Cc1cccnc1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile?
The InChIKey is QDEMRNVSEJBFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(11-14,16-5-7-17-8-6-16)9-12-3-2-4-15-10-12/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile?
2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile has a molecular weight of 231.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 82082122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).