4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile

C12H13N3O2 — CID 79674607

IUPAC4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
SMILESCc1cccnc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H13N3O2/c1-9-3-2-4-14-11(9)12(16)15-5-6-17-10(7-13)8-15/h2-4,10H,5-6,8H2,1H3
InChIKeyBVAUMULIQOIHAO-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.75
Rot. Bonds1

About 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile

4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 79674607) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
PubChem CID79674607
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
SMILESCc1cccnc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H13N3O2/c1-9-3-2-4-14-11(9)12(16)15-5-6-17-10(7-13)8-15/h2-4,10H,5-6,8H2,1H3
InChIKeyBVAUMULIQOIHAO-UHFFFAOYSA-N
XLogP0.75
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
CID 78945959
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949
4-(4-amino-2-methylbenzoyl)morpholine-2-carbonitrile
CID 79664102

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile (CID 79674607) is 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile is Cc1cccnc1C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is BVAUMULIQOIHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-3-2-4-14-11(9)12(16)15-5-6-17-10(7-13)8-15/h2-4,10H,5-6,8H2,1H3.
What are the key properties of 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile?
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).