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

C11H16N4O — CID 79676156

IUPAC4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C11H16N4O/c12-11(13)10-8-15(5-6-16-10)7-9-3-1-2-4-14-9/h1-4,10H,5-8H2,(H3,12,13)
InChIKeyPMHBYHVJWUMQNS-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.22
Rot. Bonds3

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

4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide (PubChem CID 79676156) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
PubChem CID79676156
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2ccccn2)CCO1
InChIInChI=1S/C11H16N4O/c12-11(13)10-8-15(5-6-16-10)7-9-3-1-2-4-14-9/h1-4,10H,5-8H2,(H3,12,13)
InChIKeyPMHBYHVJWUMQNS-UHFFFAOYSA-N
XLogP0.22
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
4-(quinolin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676619
4-pyridin-2-ylmorpholine-2-carboximidamide
CID 79676161
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79680379
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79675684
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
2-methyl-6-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]pyridin-4-amine
CID 124991314
(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
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-carboximidamide?
The IUPAC name of 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide (CID 79676156) is 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2ccccn2)CCO1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide?
The InChIKey is PMHBYHVJWUMQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(13)10-8-15(5-6-16-10)7-9-3-1-2-4-14-9/h1-4,10H,5-8H2,(H3,12,13).
What are the key properties of 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide?
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide has a molecular weight of 220.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).