4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile

C11H13N3O — CID 78967411

IUPAC4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C11H13N3O/c12-7-11-9-14(5-6-15-11)8-10-3-1-2-4-13-10/h1-4,11H,5-6,8-9H2
InChIKeyYTMDMHVVVSRTQP-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.81
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile

4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile (PubChem CID 78967411) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
PubChem CID78967411
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C11H13N3O/c12-7-11-9-14(5-6-15-11)8-10-3-1-2-4-13-10/h1-4,11H,5-6,8-9H2
InChIKeyYTMDMHVVVSRTQP-UHFFFAOYSA-N
XLogP0.81
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
6-[(2-cyanomorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 106904230
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
4-pyridin-2-ylmorpholine-2-carbonitrile
CID 78946454
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868
(5aR,8aR)-4-ethyl-7-(pyridin-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 124830922
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
CID 112734300
4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 79674457
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile (CID 78967411) is 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile is N#CC1CN(Cc2ccccn2)CCO1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile?
The InChIKey is YTMDMHVVVSRTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-11-9-14(5-6-15-11)8-10-3-1-2-4-13-10/h1-4,11H,5-6,8-9H2.
What are the key properties of 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile?
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78967411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).